8003-5944 Screening compound: benzyl 2-{[(benzyloxy)carbonyl]amino}-5-{[1-(methoxycarbonyl)-3-methylbutyl]amino}-5-oxopentanoate

8003-5944 Screening compound: benzyl 2-{[(benzyloxy)carbonyl]amino}-5-{[1-(methoxycarbonyl)-3-methylbutyl]amino}-5-oxopentanoate
8003-5944 Screening compound: benzyl 2-{[(benzyloxy)carbonyl]amino}-5-{[1-(methoxycarbonyl)-3-methylbutyl]amino}-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5944
benzyl 2-{[(benzyloxy)carbonyl]amino}-5-{[1-(methoxycarbonyl)-3-methylbutyl]amino}-5-oxopentanoate

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

8003-5944

Molecular Formula

C27H34N2O7 (C27 H34 N2 O7)

Compound Name

benzyl 2-{[(benzyloxy)carbonyl]amino}-5-{[1-(methoxycarbonyl)-3-methylbutyl]amino}-5-oxopentanoate

IUPAC name

methyl 2-[5-(benzyloxy)-4-{[(benzyloxy)carbonyl]amino}-5-oxopentanamido]-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(CCC(C(OCc1ccccc1)=O)NC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C27H34N2O7/c1-19(2)16-23(25(31)34-3)28-24(30)15-14-22(26(32)35-17-20-10-6-4-7-11-20)29-27(33)36-18-21-12-8-5-9-13-21/h4-13,19,22-23H,14-18H2,1-3H3,(H,28,30)(H,29,33)

InChI Key

TXQCVRVYKVUEOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.381

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.50

Polar Surface Area

99.144

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.74

8003-5944 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 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

References: we are preparing a list of scientific research reports with 8003-5944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5944?
Check Price and Availability of 8003-5944, 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 8003-5944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5944
  • 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 8003-5944 available by request