D336-2608 Screening compound: 3-fluoro-N-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

D336-2608 Screening compound: 3-fluoro-N-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
D336-2608 Screening compound: 3-fluoro-N-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-2608
3-fluoro-N-[2-({[(3-methoxyphenyl)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

D336-2608

Molecular Formula

C23H18FN3O3S2 (C23 H18 FN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(CSc2nc(ccc(NC(c3cc(F)ccc3)=O)c3)c3s2)=O)c1

InChI

InChI=1S/C23H18FN3O3S2/c1-30-18-7-3-6-16(11-18)25-21(28)13-31-23-27-19-9-8-17(12-20(19)32-23)26-22(29)14-4-2-5-15(24)10-14/h2-12H,13H2,1H3,(H,25,28)(H,26,29)

InChI Key

KQLCYXUPWOPKPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819926

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.329

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.41

Polar Surface Area

62.833

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with D336-2608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-2608?
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What is the minimum amount of D336-2608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-2608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-2608
  • 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 D336-2608 available by request