8010-7721 Screening compound: 2-{4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic acid

8010-7721 Screening compound: 2-{4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic acid
8010-7721 Screening compound: 2-{4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7721
2-{4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic 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

8010-7721

Molecular Formula

C19H18N2O4S (C19 H18 N2 O4 S)

Compound Name

2-{4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}-1,3-thiazolidine-4-carboxylic acid

IUPAC name

2-{4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl}-13-thiazolidine-4-carboxylic acid

SMILES

COc(cc(C1SCC(C(O)=O)N1)cc1)c1OCc(cccc1)c1C#N

InChI

InChI=1S/C19H18N2O4S/c1-24-17-8-12(18-21-15(11-26-18)19(22)23)6-7-16(17)25-10-14-5-3-2-4-13(14)9-20/h2-8,15,18,21H,10-11H2,1H3,(H,22,23)

InChI Key

DBBRVPMBYWUFIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.502

Distribution Coefficient, logD

-1.960

Water Solubility, LogSw

-2.43

Polar Surface Area

72.614

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

8010-7721 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8010-7721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7721?
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What is the minimum amount of 8010-7721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7721
  • 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 8010-7721 available by request