C328-0433 Screening compound: N-({5-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)furan-2-carboxamide

C328-0433 Screening compound: N-({5-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)furan-2-carboxamide
C328-0433 Screening compound: N-({5-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0433
N-({5-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)furan-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

C328-0433

Molecular Formula

C17H13F3N4O4S (C17 H13 F3 N4 O4 S)

Compound Name

N-({5-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)furan-2-carboxamide

IUPAC name

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

SMILES

O=C(CSc1nnc(CNC(c2ccco2)=O)o1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C17H13F3N4O4S/c18-17(19,20)10-3-1-4-11(7-10)22-13(25)9-29-16-24-23-14(28-16)8-21-15(26)12-5-2-6-27-12/h1-7H,8-9H2,(H,21,26)(H,22,25)

InChI Key

HOVDPHDTKGIWFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.345

Distribution Coefficient, logD

2.345

Water Solubility, LogSw

-2.98

Polar Surface Area

86.142

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C328-0433 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 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
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C328-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0433?
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What is the minimum amount of C328-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0433
  • 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 C328-0433 available by request