C301-3712 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1,3,4-oxadiazole-2-carboxamide

C301-3712 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1,3,4-oxadiazole-2-carboxamide
C301-3712 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3712
5-[(2-chloro-4-fluorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-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

C301-3712

Molecular Formula

C23H24ClF2N5O2 (C23 H24 ClF2 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nnc(Cc(ccc(F)c2)c2Cl)o1)NCCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C23H24ClF2N5O2/c24-18-15-17(25)7-6-16(18)14-21-28-29-23(33-21)22(32)27-8-3-9-30-10-12-31(13-11-30)20-5-2-1-4-19(20)26/h1-2,4-7,15H,3,8-14H2,(H,27,32)

InChI Key

QIDJQZRSQAGKND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.467

Distribution Coefficient, logD

3.166

Water Solubility, LogSw

-3.84

Polar Surface Area

61.617

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with C301-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3712?
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What is the minimum amount of C301-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3712
  • 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 C301-3712 available by request