G841-0098 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(propan-2-ylsulfanyl)benzamide

G841-0098 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(propan-2-ylsulfanyl)benzamide
G841-0098 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(propan-2-ylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0098
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(propan-2-ylsulfanyl)benzamide

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

G841-0098

Molecular Formula

C24H22N2OS2 (C24 H22 N2 OS2)

Compound Name

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(propan-2-ylsulfanyl)benzamide

IUPAC name

N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-3-(propan-2-ylsulfanyl)benzamide

SMILES

CC(C)Sc1cccc(C(Nc(cc2)ccc2-c2nc(ccc(C)c3)c3s2)=O)c1

InChI

InChI=1S/C24H22N2OS2/c1-15(2)28-20-6-4-5-18(14-20)23(27)25-19-10-8-17(9-11-19)24-26-21-12-7-16(3)13-22(21)29-24/h4-15H,1-3H3,(H,25,27)

InChI Key

YRSRFIZRZYMPSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09247946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.695

Distribution Coefficient, logD

6.695

Water Solubility, LogSw

-5.66

Polar Surface Area

32.779

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G841-0098 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G841-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0098?
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What is the minimum amount of G841-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0098
  • 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 G841-0098 available by request