D336-2313 Screening compound: N-[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide

D336-2313 Screening compound: N-[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide
D336-2313 Screening compound: N-[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2313
N-[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide

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

D336-2313

Molecular Formula

C23H18ClN3O3S2 (C23 H18 ClN3 O3 S2)

Compound Name

N-[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-methoxybenzamide

IUPAC name

N-[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc(cc1)cc2c1nc(SCC(Nc(cccc1)c1Cl)=O)s2)=O

InChI

InChI=1S/C23H18ClN3O3S2/c1-30-19-9-5-2-6-15(19)22(29)25-14-10-11-18-20(12-14)32-23(27-18)31-13-21(28)26-17-8-4-3-7-16(17)24/h2-12H,13H2,1H3,(H,25,29)(H,26,28)

InChI Key

ADDXOWWKIIODEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-5.05

Polar Surface Area

62.222

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D336-2313 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D336-2313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2313?
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What is the minimum amount of D336-2313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2313
  • 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 D336-2313 available by request