Y042-7872 Screening compound: (2S)-3-methyl-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)butanoic acid

Y042-7872 Screening compound: (2S)-3-methyl-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)butanoic acid
Y042-7872 Screening compound: (2S)-3-methyl-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7872
(2S)-3-methyl-2-({[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}amino)butanoic 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

Y042-7872

Molecular Formula

C14H17N3O4 (C14 H17 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(C(O)=O)NC(N(C1)c(cccc2)c2NC1=O)=O

InChI

InChI=1S/C14H17N3O4/c1-8(2)12(13(19)20)16-14(21)17-7-11(18)15-9-5-3-4-6-10(9)17/h3-6,8,12H,7H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)/t12-/m0/s1

InChI Key

FPTMVYSEKOSKEL-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.087

Distribution Coefficient, logD

-3.153

Water Solubility, LogSw

-2.03

Polar Surface Area

78.560

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

Y042-7872 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y042-7872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7872?
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What is the minimum amount of Y042-7872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7872
  • 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 Y042-7872 available by request