8017-3735 Screening compound: 3-({2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoic acid

8017-3735 Screening compound: 3-({2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoic acid
8017-3735 Screening compound: 3-({2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3735
3-({2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzimidazol-1-yl]acetyl}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

8017-3735

Molecular Formula

C19H14N4O3S (C19 H14 N4 O3 S)

Compound Name

3-({2-[2-(1,3-thiazol-5-yl)-1H-1,3-benzimidazol-1-yl]acetyl}amino)benzoic acid

IUPAC name

3-{2-[2-(13-thiazol-5-yl)-1H-13-benzodiazol-1-yl]acetamido}benzoic acid

SMILES

OC(c1cccc(NC(Cn2c(-c3cncs3)nc3c2cccc3)=O)c1)=O

InChI

InChI=1S/C19H14N4O3S/c24-17(21-13-5-3-4-12(8-13)19(25)26)10-23-15-7-2-1-6-14(15)22-18(23)16-9-20-11-27-16/h1-9,11H,10H2,(H,21,24)(H,25,26)

InChI Key

PZJCCTKSDQBTBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

1.103

Water Solubility, LogSw

-4.01

Polar Surface Area

71.551

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

8017-3735 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-3735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3735?
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What is the minimum amount of 8017-3735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3735
  • 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 8017-3735 available by request