8005-5067 Screening compound: N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide

8005-5067 Screening compound: N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide
8005-5067 Screening compound: N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5067
N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide

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

8005-5067

Molecular Formula

C37H40N4O7S (C37 H40 N4 O7 S)

Compound Name

N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide

SMILES

CCCCCCCOc1c(C2N(C(c(cc3)ccc3[N+]([O-])=O)=O)N2C(C(Cc2ccccc2)NS(c2ccc(C)cc2)(=O)=O)=O)cccc1

InChI

InChI=1S/C37H40N4O7S/c1-3-4-5-6-12-25-48-34-16-11-10-15-32(34)35-39(36(42)29-19-21-30(22-20-29)41(44)45)40(35)37(43)33(26-28-13-8-7-9-14-28)38-49(46,47)31-23-17-27(2)18-24-31/h7-11,13-24,33,35,38H,3-6,12,25-26H2,1-2H3

InChI Key

AZOZFSBYRDVUBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

684.81

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.603

Distribution Coefficient, logD

8.602

Water Solubility, LogSw

-5.73

Polar Surface Area

116.509

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.70

8005-5067 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 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:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 8005-5067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5067?
Check Price and Availability of 8005-5067, 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 8005-5067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5067
  • 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 8005-5067 available by request