Y043-7310 Screening compound: (2S)-N-(4-chlorobenzyl)-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-3-methylbutanamide

Y043-7310 Screening compound: (2S)-N-(4-chlorobenzyl)-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-3-methylbutanamide
Y043-7310 Screening compound: (2S)-N-(4-chlorobenzyl)-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-7310
(2S)-N-(4-chlorobenzyl)-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-3-methylbutanamide

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

Y043-7310

Molecular Formula

C17H24ClN3O4S (C17 H24 ClN3 O4 S)

Compound Name

(2S)-N-(4-chlorobenzyl)-2-({[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}amino)-3-methylbutanamide

IUPAC name

(2S)-N-[(4-chlorophenyl)methyl]-2-{[(11-dioxo-1lambda6-thiolan-3-yl)carbamoyl]amino}-3-methylbutanamide

SMILES

CC(C)C(C(NCc(cc1)ccc1Cl)=O)NC(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C17H24ClN3O4S/c1-11(2)15(16(22)19-9-12-3-5-13(18)6-4-12)21-17(23)20-14-7-8-26(24,25)10-14/h3-6,11,14-15H,7-10H2,1-2H3,(H,19,22)(H2,20,21,23)/t14?,15-/m0/s1

InChI Key

WWFFBTIFMYCNSC-LOACHALJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.865

Distribution Coefficient, logD

0.865

Water Solubility, LogSw

-2.47

Polar Surface Area

87.385

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

Y043-7310 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y043-7310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-7310?
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What is the minimum amount of Y043-7310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-7310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-7310
  • 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 Y043-7310 available by request