D336-1172 Screening compound: N-methyl-N-phenyl-2-({6-[2-(phenylsulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

D336-1172 Screening compound: N-methyl-N-phenyl-2-({6-[2-(phenylsulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
D336-1172 Screening compound: N-methyl-N-phenyl-2-({6-[2-(phenylsulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-1172
N-methyl-N-phenyl-2-({6-[2-(phenylsulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

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

D336-1172

Molecular Formula

C24H21N3O2S3 (C24 H21 N3 O2 S3)

Compound Name

N-methyl-N-phenyl-2-({6-[2-(phenylsulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-methyl-N-phenyl-2-({6-[2-(phenylsulfanyl)acetamido]-13-benzothiazol-2-yl}sulfanyl)acetamide

SMILES

CN(C(CSc1nc(ccc(NC(CSc2ccccc2)=O)c2)c2s1)=O)c1ccccc1

InChI

InChI=1S/C24H21N3O2S3/c1-27(18-8-4-2-5-9-18)23(29)16-31-24-26-20-13-12-17(14-21(20)32-24)25-22(28)15-30-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,28)

InChI Key

ZKGNBXNXPHBRKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-4.58

Polar Surface Area

47.039

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D336-1172 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D336-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-1172?
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What is the minimum amount of D336-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-1172
  • 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 D336-1172 available by request