7100-1440 Screening compound: 4-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid

7100-1440 Screening compound: 4-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
7100-1440 Screening compound: 4-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7100-1440
4-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic 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

7100-1440

Molecular Formula

C15H13N3O3S2 (C15 H13 N3 O3 S2)

Compound Name

4-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid

IUPAC name

4-{[4-(24-dimethyl-13-thiazol-5-yl)-13-thiazol-2-yl]amino}-2-hydroxybenzoic acid

SMILES

Cc1c(-c2csc(Nc(cc3)cc(O)c3C(O)=O)n2)sc(C)n1

InChI

InChI=1S/C15H13N3O3S2/c1-7-13(23-8(2)16-7)11-6-22-15(18-11)17-9-3-4-10(14(20)21)12(19)5-9/h3-6,19H,1-2H3,(H,17,18)(H,20,21)

InChI Key

LSEVKLHSSNTPJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.695

Distribution Coefficient, logD

1.666

Water Solubility, LogSw

-4.20

Polar Surface Area

74.271

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

7100-1440 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7100-1440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7100-1440?
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What is the minimum amount of 7100-1440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7100-1440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7100-1440
  • 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 7100-1440 available by request