3729-2894 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,5-dichlorobenzamide

3729-2894 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,5-dichlorobenzamide
3729-2894 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,5-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-2894
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,5-dichlorobenzamide

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

3729-2894

Molecular Formula

C20H12Cl2N2O2S (C20 H12 Cl2 N2 O2 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2,5-dichlorobenzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-4-hydroxyphenyl]-25-dichlorobenzamide

SMILES

Oc(ccc(NC(c(cc(cc1)Cl)c1Cl)=O)c1)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C20H12Cl2N2O2S/c21-11-5-7-15(22)13(9-11)19(26)23-12-6-8-17(25)14(10-12)20-24-16-3-1-2-4-18(16)27-20/h1-10,25H,(H,23,26)

InChI Key

QOUPDJFSTRGMMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01144194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.715

Distribution Coefficient, logD

6.712

Water Solubility, LogSw

-6.13

Polar Surface Area

49.327

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3729-2894 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 3729-2894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-2894?
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What is the minimum amount of 3729-2894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-2894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-2894
  • 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 3729-2894 available by request