8010-3866 Screening compound: 3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}benzoic acid

8010-3866 Screening compound: 3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}benzoic acid
8010-3866 Screening compound: 3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3866
3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino}benzoic 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

8010-3866

Molecular Formula

C15H13N3O2S2 (C15 H13 N3 O2 S2)

Compound Name

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

IUPAC name

3-{[4-(24-dimethyl-13-thiazol-5-yl)-13-thiazol-2-yl]amino}benzoic acid

SMILES

Cc1c(-c2csc(Nc3cc(C(O)=O)ccc3)n2)sc(C)n1

InChI

InChI=1S/C15H13N3O2S2/c1-8-13(22-9(2)16-8)12-7-21-15(18-12)17-11-5-3-4-10(6-11)14(19)20/h3-7H,1-2H3,(H,17,18)(H,19,20)

InChI Key

SSOYFCMOBWMOMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872201

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

1.590

Water Solubility, LogSw

-4.46

Polar Surface Area

57.723

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8010-3866 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8010-3866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3866?
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What is the minimum amount of 8010-3866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3866
  • 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 8010-3866 available by request