C301-3840 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1,3,4-oxadiazole-2-carboxamide

C301-3840 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1,3,4-oxadiazole-2-carboxamide
C301-3840 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3840
5-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1,3,4-oxadiazole-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

C301-3840

Molecular Formula

C22H22Cl2FN5O2 (C22 H22 Cl2 FN5 O2)

Compound Name

5-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-1,3,4-oxadiazole-2-carboxamide

IUPAC name

5-[(2-chloro-4-fluorophenyl)methyl]-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-134-oxadiazole-2-carboxamide

SMILES

O=C(c1nnc(Cc(ccc(F)c2)c2Cl)o1)NCCN(CC1)CCN1c1cc(Cl)ccc1

InChI

InChI=1S/C22H22Cl2FN5O2/c23-16-2-1-3-18(13-16)30-10-8-29(9-11-30)7-6-26-21(31)22-28-27-20(32-22)12-15-4-5-17(25)14-19(15)24/h1-5,13-14H,6-12H2,(H,26,31)

InChI Key

YIPZUDTVHULNCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.08

Polar Surface Area

61.917

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C301-3840 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C301-3840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3840?
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What is the minimum amount of C301-3840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3840
  • 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 C301-3840 available by request