Y040-5258 Screening compound: 2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}propanoic acid

Y040-5258 Screening compound: 2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}propanoic acid
Y040-5258 Screening compound: 2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5258
2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}propanoic 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

Y040-5258

Molecular Formula

C14H12Cl2N2O3S (C14 H12 Cl2 N2 O3 S)

Compound Name

2-{2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamido}propanoic acid

IUPAC name

n/a

SMILES

CC(C(O)=O)NC(Cc1csc(-c(c(Cl)ccc2)c2Cl)n1)=O

InChI

InChI=1S/C14H12Cl2N2O3S/c1-7(14(20)21)17-11(19)5-8-6-22-13(18-8)12-9(15)3-2-4-10(12)16/h2-4,6-7H,5H2,1H3,(H,17,19)(H,20,21)/t7-/m0/s1

InChI Key

HGBZYEHCMXHKKU-ZETCQYMHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.272

Distribution Coefficient, logD

-1.376

Water Solubility, LogSw

-2.97

Polar Surface Area

62.510

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

Y040-5258 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-5258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5258?
Check Price and Availability of Y040-5258, 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 Y040-5258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5258
  • 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 Y040-5258 available by request