D336-3457 Screening compound: 3-chloro-N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

D336-3457 Screening compound: 3-chloro-N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
D336-3457 Screening compound: 3-chloro-N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-3457
3-chloro-N-[2-({[(1,3-thiazol-2-yl)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

D336-3457

Molecular Formula

C19H13ClN4O2S3 (C19 H13 ClN4 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(ccc(NC(c2cccc(Cl)c2)=O)c2)c2s1)Nc1nccs1

InChI

InChI=1S/C19H13ClN4O2S3/c20-12-3-1-2-11(8-12)17(26)22-13-4-5-14-15(9-13)29-19(23-14)28-10-16(25)24-18-21-6-7-27-18/h1-9H,10H2,(H,22,26)(H,21,24,25)

InChI Key

IVWWOENJTDYMCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-5.14

Polar Surface Area

65.767

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with D336-3457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-3457?
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What is the minimum amount of D336-3457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-3457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-3457
  • 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 D336-3457 available by request