C328-0272 Screening compound: 2-fluoro-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

C328-0272 Screening compound: 2-fluoro-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
C328-0272 Screening compound: 2-fluoro-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0272
2-fluoro-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

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

C328-0272

Molecular Formula

C19H17FN4O3S (C19 H17 FN4 O3 S)

Compound Name

2-fluoro-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

IUPAC name

2-fluoro-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}benzamide

SMILES

Cc1cccc(NC(CSc2nnc(CNC(c(cccc3)c3F)=O)o2)=O)c1

InChI

InChI=1S/C19H17FN4O3S/c1-12-5-4-6-13(9-12)22-16(25)11-28-19-24-23-17(27-19)10-21-18(26)14-7-2-3-8-15(14)20/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25)

InChI Key

CQOVTXYZSRNVNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.52

Polar Surface Area

77.564

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C328-0272 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C328-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0272?
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What is the minimum amount of C328-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0272
  • 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 C328-0272 available by request