8003-5425 Screening compound: 2-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-[4-(benzyloxy)phenyl]propanoic acid

8003-5425 Screening compound: 2-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-[4-(benzyloxy)phenyl]propanoic acid
8003-5425 Screening compound: 2-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-[4-(benzyloxy)phenyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5425
2-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-[4-(benzyloxy)phenyl]propanoic 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

8003-5425

Molecular Formula

C29H32N2O6 (C29 H32 N2 O6)

Compound Name

2-[(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-[4-(benzyloxy)phenyl]propanoic acid

IUPAC name

2-(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido)-3-[4-(benzyloxy)phenyl]propanoic acid

SMILES

CC(C)C(C(NC(Cc(cc1)ccc1OCc1ccccc1)C(O)=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C29H32N2O6/c1-20(2)26(31-29(35)37-19-23-11-7-4-8-12-23)27(32)30-25(28(33)34)17-21-13-15-24(16-14-21)36-18-22-9-5-3-6-10-22/h3-16,20,25-26H,17-19H2,1-2H3,(H,30,32)(H,31,35)(H,33,34)

InChI Key

MWEMQEDUTYQWID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00468763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

0.477

Water Solubility, LogSw

-4.26

Polar Surface Area

92.411

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.59

8003-5425 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8003-5425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5425?
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What is the minimum amount of 8003-5425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5425
  • 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 8003-5425 available by request