C328-0367 Screening compound: N-{[5-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-thiophenecarboxamide

C328-0367 Screening compound: N-{[5-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-thiophenecarboxamide
C328-0367 Screening compound: N-{[5-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0367
N-{[5-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-thiophenecarboxamide

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

C328-0367

Molecular Formula

C17H13F3N4O3S2 (C17 H13 F3 N4 O3 S2)

Compound Name

N-{[5-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-thiophenecarboxamide

IUPAC name

N-({5-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-134-oxadiazol-2-yl}methyl)thiophene-2-carboxamide

SMILES

O=C(CSc1nnc(CNC(c2cccs2)=O)o1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C17H13F3N4O3S2/c18-17(19,20)10-3-1-4-11(7-10)22-13(25)9-29-16-24-23-14(27-16)8-21-15(26)12-5-2-6-28-12/h1-7H,8-9H2,(H,21,26)(H,22,25)

InChI Key

LODAFZDHXLWANX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.44

Polar Surface Area

78.582

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

C328-0367 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C328-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0367?
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What is the minimum amount of C328-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0367
  • 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 C328-0367 available by request