D336-2723 Screening compound: N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-fluorobenzamide

D336-2723 Screening compound: N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-fluorobenzamide
D336-2723 Screening compound: N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2723
N-[2-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-fluorobenzamide

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

D336-2723

Molecular Formula

C24H20FN3O2S2 (C24 H20 FN3 O2 S2)

Compound Name

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

IUPAC name

N-[2-({[(24-dimethylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-2-fluorobenzamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nc(ccc(NC(c(cccc2)c2F)=O)c2)c2s1)=O

InChI

InChI=1S/C24H20FN3O2S2/c1-14-7-9-19(15(2)11-14)27-22(29)13-31-24-28-20-10-8-16(12-21(20)32-24)26-23(30)17-5-3-4-6-18(17)25/h3-12H,13H2,1-2H3,(H,26,30)(H,27,29)

InChI Key

KULAQWLHOKZNSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03355948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

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

5.605

Distribution Coefficient, logD

5.600

Water Solubility, LogSw

-5.36

Polar Surface Area

54.591

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D336-2723 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D336-2723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2723?
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What is the minimum amount of D336-2723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2723
  • 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 D336-2723 available by request