C328-0021 Screening compound: N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide

C328-0021 Screening compound: N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide
C328-0021 Screening compound: N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0021
N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide

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

C328-0021

Molecular Formula

C19H17FN4O4S (C19 H17 FN4 O4 S)

Compound Name

N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide

IUPAC name

N-{[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCc(o1)nnc1SCC(Nc(cccc1)c1F)=O)=O

InChI

InChI=1S/C19H17FN4O4S/c1-27-13-8-6-12(7-9-13)18(26)21-10-17-23-24-19(28-17)29-11-16(25)22-15-5-3-2-4-14(15)20/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25)

InChI Key

MCPGYHJDPLRCPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

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

1.908

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-2.47

Polar Surface Area

84.410

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C328-0021 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C328-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0021?
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What is the minimum amount of C328-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0021
  • 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 C328-0021 available by request