Y041-4464 Screening compound: 2-{2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid

Y041-4464 Screening compound: 2-{2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid
Y041-4464 Screening compound: 2-{2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4464
2-{2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)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

Y041-4464

Molecular Formula

C16H17ClN2O3S2 (C16 H17 ClN2 O3 S2)

Compound Name

2-{2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid

IUPAC name

(2S)-2-{2-[2-(2-chlorophenyl)-13-thiazol-4-yl]acetamido}-4-(methylsulfanyl)butanoic acid

SMILES

CSCCC(C(O)=O)NC(Cc1csc(-c(cccc2)c2Cl)n1)=O

InChI

InChI=1S/C16H17ClN2O3S2/c1-23-7-6-13(16(21)22)19-14(20)8-10-9-24-15(18-10)11-4-2-3-5-12(11)17/h2-5,9,13H,6-8H2,1H3,(H,19,20)(H,21,22)/t13-/m0/s1

InChI Key

AHZAAIBOVDQXMA-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.511

Distribution Coefficient, logD

-1.107

Water Solubility, LogSw

-3.23

Polar Surface Area

62.978

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

Y041-4464 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-4464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4464?
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What is the minimum amount of Y041-4464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4464
  • 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 Y041-4464 available by request