8010-3139 Screening compound: 3-{[2'-(ACETYLAMINO)-4'-METHYL-4,5'-BI-1,3-THIAZOL-2-YL]AMINO}BENZOIC ACID

8010-3139 Screening compound: 3-{[2'-(ACETYLAMINO)-4'-METHYL-4,5'-BI-1,3-THIAZOL-2-YL]AMINO}BENZOIC ACID
8010-3139 Screening compound: 3-{[2'-(ACETYLAMINO)-4'-METHYL-4,5'-BI-1,3-THIAZOL-2-YL]AMINO}BENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3139
3-{[2'-(ACETYLAMINO)-4'-METHYL-4,5'-BI-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

8010-3139

Molecular Formula

C16H14N4O3S2 (C16 H14 N4 O3 S2)

Compound Name

3-{[2'-(ACETYLAMINO)-4'-METHYL-4,5'-BI-1,3-THIAZOL-2-YL]AMINO}BENZOIC ACID

IUPAC name

n/a

SMILES

CC(Nc1nc(C)c(-c2csc(Nc3cc(C(O)=O)ccc3)n2)s1)=O

InChI

InChI=1S/C16H14N4O3S2/c1-8-13(25-16(17-8)18-9(2)21)12-7-24-15(20-12)19-11-5-3-4-10(6-11)14(22)23/h3-7H,1-2H3,(H,19,20)(H,22,23)(H,17,18,21)

InChI Key

AYSRHUJFCKXTHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873030

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

1.217

Water Solubility, LogSw

-4.28

Polar Surface Area

81.219

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8010-3139 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8010-3139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3139?
Check Price and Availability of 8010-3139, 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 8010-3139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3139
  • 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 8010-3139 available by request