8013-2797 Screening compound: 2-[(2-phenylacetyl)amino]-4-phosphonobutanoic acid

8013-2797 Screening compound: 2-[(2-phenylacetyl)amino]-4-phosphonobutanoic acid
8013-2797 Screening compound: 2-[(2-phenylacetyl)amino]-4-phosphonobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2797
2-[(2-phenylacetyl)amino]-4-phosphonobutanoic 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

8013-2797

Molecular Formula

C12H16NO6P (C12 H16 NO6 P)

Compound Name

2-[(2-phenylacetyl)amino]-4-phosphonobutanoic acid

IUPAC name

2-(2-phenylacetamido)-4-phosphonobutanoic acid

SMILES

OC(C(CCP(O)(O)=O)NC(Cc1ccccc1)=O)=O

InChI

InChI=1S/C12H16NO6P/c14-11(8-9-4-2-1-3-5-9)13-10(12(15)16)6-7-20(17,18)19/h1-5,10H,6-8H2,(H,13,14)(H,15,16)(H2,17,18,19)/t10-/m0/s1

InChI Key

LWEKZOMJMNLYAS-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02926237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.24

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.800

Distribution Coefficient, logD

-7.264

Water Solubility, LogSw

-1.43

Polar Surface Area

97.739

Acid Dissociation Constant (pKa)

1.94

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8013-2797 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-2797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2797?
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What is the minimum amount of 8013-2797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2797
  • 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 8013-2797 available by request