8290-02963 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide

8290-02963 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
8290-02963 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8290-02963
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide

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

8290-02963

Molecular Formula

C24H22N2O2S (C24 H22 N2 O2 S)

Compound Name

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide

IUPAC name

N-[4-(13-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide

SMILES

CCCOc1cccc(C(Nc(cc2)c(C)cc2-c2nc(cccc3)c3s2)=O)c1

InChI

InChI=1S/C24H22N2O2S/c1-3-13-28-19-8-6-7-17(15-19)23(27)25-20-12-11-18(14-16(20)2)24-26-21-9-4-5-10-22(21)29-24/h4-12,14-15H,3,13H2,1-2H3,(H,25,27)

InChI Key

NVLFILHZDWZZDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

6.262

Water Solubility, LogSw

-5.52

Polar Surface Area

39.498

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8290-02963 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8290-02963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8290-02963?
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What is the minimum amount of 8290-02963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8290-02963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8290-02963
  • 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 8290-02963 available by request