D336-3414 Screening compound: N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide

D336-3414 Screening compound: N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide
D336-3414 Screening compound: N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-3414
N-[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide

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

D336-3414

Molecular Formula

C17H12N4O2S4 (C17 H12 N4 O2 S4)

Compound Name

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

IUPAC name

N-[2-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]thiophene-2-carboxamide

SMILES

O=C(CSc1nc(ccc(NC(c2cccs2)=O)c2)c2s1)Nc1nccs1

InChI

InChI=1S/C17H12N4O2S4/c22-14(21-16-18-5-7-25-16)9-26-17-20-11-4-3-10(8-13(11)27-17)19-15(23)12-2-1-6-24-12/h1-8H,9H2,(H,19,23)(H,18,21,22)

InChI Key

CEFJRMMLQBGSHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

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

4.218

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.32

Polar Surface Area

66.786

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D336-3414 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D336-3414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-3414?
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What is the minimum amount of D336-3414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-3414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-3414
  • 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 D336-3414 available by request