D336-2227 Screening compound: N-[2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

D336-2227 Screening compound: N-[2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide
D336-2227 Screening compound: N-[2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2227
N-[2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

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

D336-2227

Molecular Formula

C23H18FN3O3S2 (C23 H18 FN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc1ccccc1)Nc(cc1)cc2c1nc(SCC(Nc(cc1)ccc1F)=O)s2

InChI

InChI=1S/C23H18FN3O3S2/c24-15-6-8-16(9-7-15)25-22(29)14-31-23-27-19-11-10-17(12-20(19)32-23)26-21(28)13-30-18-4-2-1-3-5-18/h1-12H,13-14H2,(H,25,29)(H,26,28)

InChI Key

PMEKRUMBHWLAQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03877196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.174

Distribution Coefficient, logD

5.174

Water Solubility, LogSw

-5.35

Polar Surface Area

62.575

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with D336-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2227?
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What is the minimum amount of D336-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2227
  • 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 D336-2227 available by request