C301-5654 Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}-4-(pyridin-2-yl)piperazine

C301-5654 Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}-4-(pyridin-2-yl)piperazine
C301-5654 Screening compound: 1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5654
1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}-4-(pyridin-2-yl)piperazine

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

C301-5654

Molecular Formula

C24H21ClFN5O (C24 H21 ClFN5 O)

Compound Name

1-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{[5-(2-chlorophenyl)-134-oxadiazol-2-yl](4-fluorophenyl)methyl}-4-(pyridin-2-yl)piperazine

SMILES

Fc1ccc(C(c2nnc(-c(cccc3)c3Cl)o2)N(CC2)CCN2c2ncccc2)cc1

InChI

InChI=1S/C24H21ClFN5O/c25-20-6-2-1-5-19(20)23-28-29-24(32-23)22(17-8-10-18(26)11-9-17)31-15-13-30(14-16-31)21-7-3-4-12-27-21/h1-12,22H,13-16H2/t22-/m1/s1

InChI Key

HUEKIQIGQJGRCR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14744075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.034

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-5.23

Polar Surface Area

45.279

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C301-5654 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-5654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5654?
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What is the minimum amount of C301-5654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5654
  • 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 C301-5654 available by request