Y044-5698 Screening compound: (2S)-2-({2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl}amino)-3-phenylpropanoic acid

Y044-5698 Screening compound: (2S)-2-({2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl}amino)-3-phenylpropanoic acid
Y044-5698 Screening compound: (2S)-2-({2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl}amino)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5698
(2S)-2-({2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl}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

Y044-5698

Molecular Formula

C20H17ClN2O3S (C20 H17 ClN2 O3 S)

Compound Name

(2S)-2-({2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl}amino)-3-phenylpropanoic acid

IUPAC name

(2S)-2-{2-[2-(2-chlorophenyl)-13-thiazol-4-yl]acetamido}-3-phenylpropanoic acid

SMILES

OC(C(Cc1ccccc1)NC(Cc1csc(-c(cccc2)c2Cl)n1)=O)=O

InChI

InChI=1S/C20H17ClN2O3S/c21-16-9-5-4-8-15(16)19-22-14(12-27-19)11-18(24)23-17(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,17H,10-11H2,(H,23,24)(H,25,26)/t17-/m0/s1

InChI Key

KULJCMIKGVJSBB-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

-0.443

Water Solubility, LogSw

-3.59

Polar Surface Area

62.706

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

Y044-5698 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y044-5698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5698?
Check Price and Availability of Y044-5698, 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 Y044-5698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5698
  • 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 Y044-5698 available by request