8002-1826 Screening compound: 11-(3-{[amino(imino)methyl]amino}propyl)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid

8002-1826 Screening compound: 11-(3-{[amino(imino)methyl]amino}propyl)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid
8002-1826 Screening compound: 11-(3-{[amino(imino)methyl]amino}propyl)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-1826
11-(3-{[amino(imino)methyl]amino}propyl)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8002-1826

Molecular Formula

C30H42N6O7 (C30 H42 N6 O7)

Compound Name

11-(3-{[amino(imino)methyl]amino}propyl)-8-benzyl-5-(tert-butoxymethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid

IUPAC name

2-[2-(2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)propanamido)-3-phenylpropanamido]-5-carbamimidamidopentanoic acid

SMILES

CC(C)(C)OCC(C(NC(Cc1ccccc1)C(NC(CCCNC(N)=N)C(O)=O)=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C30H42N6O7/c1-30(2,3)43-19-24(36-29(41)42-18-21-13-8-5-9-14-21)26(38)35-23(17-20-11-6-4-7-12-20)25(37)34-22(27(39)40)15-10-16-33-28(31)32/h4-9,11-14,22-24H,10,15-19H2,1-3H3,(H,34,37)(H,35,38)(H,36,41)(H,39,40)(H4,31,32,33)

InChI Key

YJJMWIGHLXQIJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00468425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.7

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

8.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.484

Distribution Coefficient, logD

1.484

Water Solubility, LogSw

-1.47

Polar Surface Area

166.491

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

43.33

8002-1826 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8002-1826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-1826?
Check Price and Availability of 8002-1826, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-1826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-1826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-1826
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8002-1826 available by request