D336-1144 Screening compound: 4-methyl-N-[2-({[methyl(phenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

D336-1144 Screening compound: 4-methyl-N-[2-({[methyl(phenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
D336-1144 Screening compound: 4-methyl-N-[2-({[methyl(phenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1144
4-methyl-N-[2-({[methyl(phenyl)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

D336-1144

Molecular Formula

C24H21N3O2S2 (C24 H21 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(N(C)c1ccccc1)=O)s2)=O

InChI

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

InChI Key

JESLAUVRHNYJEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-4.61

Polar Surface Area

47.253

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D336-1144 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with D336-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1144?
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What is the minimum amount of D336-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1144
  • 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 D336-1144 available by request