Y042-7871 Screening compound: (2S)-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)-3-phenylpropanoic acid

Y042-7871 Screening compound: (2S)-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)-3-phenylpropanoic acid
Y042-7871 Screening compound: (2S)-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7871
(2S)-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)-3-phenylpropanoic 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

Y042-7871

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

(2S)-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)-3-phenylpropanoic acid

IUPAC name

(2S)-2-[(3-oxo-1234-tetrahydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoic acid

SMILES

OC(C(Cc1ccccc1)NC(N(C1)c(cccc2)c2NC1=O)=O)=O

InChI

InChI=1S/C18H17N3O4/c22-16-11-21(15-9-5-4-8-13(15)19-16)18(25)20-14(17(23)24)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,19,22)(H,20,25)(H,23,24)/t14-/m0/s1

InChI Key

PTEUELDWMJPCTL-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.151

Distribution Coefficient, logD

-2.093

Water Solubility, LogSw

-1.97

Polar Surface Area

78.566

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

Y042-7871 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y042-7871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7871?
Check Price and Availability of Y042-7871, 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 Y042-7871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7871
  • 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 Y042-7871 available by request