C328-0195 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide

C328-0195 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide
C328-0195 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0195
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide

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

C328-0195

Molecular Formula

C18H20ClFN4O3S (C18 H20 ClFN4 O3 S)

Compound Name

N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide

IUPAC name

N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-2-chloro-6-fluorobenzamide

SMILES

O=C(CSc1nnc(CNC(c(c(F)ccc2)c2Cl)=O)o1)N1CCCCCC1

InChI

InChI=1S/C18H20ClFN4O3S/c19-12-6-5-7-13(20)16(12)17(26)21-10-14-22-23-18(27-14)28-11-15(25)24-8-3-1-2-4-9-24/h5-7H,1-4,8-11H2,(H,21,26)

InChI Key

SBBSTMTWEPVGNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.361

Distribution Coefficient, logD

2.361

Water Solubility, LogSw

-3.43

Polar Surface Area

71.138

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with C328-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0195?
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What is the minimum amount of C328-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0195
  • 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 C328-0195 available by request