C328-0347 Screening compound: N-{[5-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}thiophene-2-carboxamide

C328-0347 Screening compound: N-{[5-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}thiophene-2-carboxamide
C328-0347 Screening compound: N-{[5-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0347
N-{[5-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}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

C328-0347

Molecular Formula

C17H14N4O5S2 (C17 H14 N4 O5 S2)

Compound Name

N-{[5-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}thiophene-2-carboxamide

IUPAC name

N-{[5-({[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}thiophene-2-carboxamide

SMILES

O=C(CSc1nnc(CNC(c2cccs2)=O)o1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H14N4O5S2/c22-14(19-10-3-4-11-12(6-10)25-9-24-11)8-28-17-21-20-15(26-17)7-18-16(23)13-2-1-5-27-13/h1-6H,7-9H2,(H,18,23)(H,19,22)

InChI Key

UONXIHLHUPKIBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.813

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-2.56

Polar Surface Area

95.698

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C328-0347 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C328-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0347?
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What is the minimum amount of C328-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0347
  • 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 C328-0347 available by request