D336-1996 Screening compound: 4-methyl-N-[2-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

D336-1996 Screening compound: 4-methyl-N-[2-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
D336-1996 Screening compound: 4-methyl-N-[2-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1996
4-methyl-N-[2-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]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

D336-1996

Molecular Formula

C24H21N3O2S2 (C24 H21 N3 O2 S2)

Compound Name

4-methyl-N-[2-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

IUPAC name

4-methyl-N-[2-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

Cc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(Nc1cc(C)ccc1)=O)s2)=O

InChI

InChI=1S/C24H21N3O2S2/c1-15-6-8-17(9-7-15)23(29)26-19-10-11-20-21(13-19)31-24(27-20)30-14-22(28)25-18-5-3-4-16(2)12-18/h3-13H,14H2,1-2H3,(H,25,28)(H,26,29)

InChI Key

CVDRSNIFNXNCNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03356017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.923

Distribution Coefficient, logD

5.922

Water Solubility, LogSw

-5.40

Polar Surface Area

55.289

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with D336-1996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1996?
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What is the minimum amount of D336-1996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1996
  • 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 D336-1996 available by request