Y043-0732 Screening compound: 1-{[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}-4-piperidinecarboxylic acid

Y043-0732 Screening compound: 1-{[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}-4-piperidinecarboxylic acid
Y043-0732 Screening compound: 1-{[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}-4-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0732
1-{[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}-4-piperidinecarboxylic 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

Y043-0732

Molecular Formula

C17H16Cl2N2O3S (C17 H16 Cl2 N2 O3 S)

Compound Name

1-{[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}-4-piperidinecarboxylic acid

IUPAC name

1-[2-(24-dichlorophenyl)-4-methyl-13-thiazole-5-carbonyl]piperidine-4-carboxylic acid

SMILES

Cc1c(C(N(CC2)CCC2C(O)=O)=O)sc(-c(ccc(Cl)c2)c2Cl)n1

InChI

InChI=1S/C17H16Cl2N2O3S/c1-9-14(16(22)21-6-4-10(5-7-21)17(23)24)25-15(20-9)12-3-2-11(18)8-13(12)19/h2-3,8,10H,4-7H2,1H3,(H,23,24)

InChI Key

QWSQMPXQYRUPPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16622932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

0.844

Water Solubility, LogSw

-3.75

Polar Surface Area

55.606

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

Y043-0732 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-0732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0732?
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What is the minimum amount of Y043-0732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0732
  • 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 Y043-0732 available by request