C301-3009 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-1,3,4-oxadiazole-2-carboxamide

C301-3009 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-1,3,4-oxadiazole-2-carboxamide
C301-3009 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3009
5-[(2-chloro-6-fluorophenyl)methyl]-N-{3-[4-(2,5-dimethylphenyl)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

C301-3009

Molecular Formula

C25H29ClFN5O2 (C25 H29 ClFN5 O2)

Compound Name

5-[(2-chloro-6-fluorophenyl)methyl]-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-1,3,4-oxadiazole-2-carboxamide

IUPAC name

5-[(2-chloro-6-fluorophenyl)methyl]-N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}-134-oxadiazole-2-carboxamide

SMILES

Cc1cc(N2CCN(CCCNC(c3nnc(Cc(c(F)ccc4)c4Cl)o3)=O)CC2)c(C)cc1

InChI

InChI=1S/C25H29ClFN5O2/c1-17-7-8-18(2)22(15-17)32-13-11-31(12-14-32)10-4-9-28-24(33)25-30-29-23(34-25)16-19-20(26)5-3-6-21(19)27/h3,5-8,15H,4,9-14,16H2,1-2H3,(H,28,33)

InChI Key

XYUPSSGTAHKVSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.99

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

4.154

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-4.38

Polar Surface Area

61.617

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C301-3009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3009?
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What is the minimum amount of C301-3009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3009
  • 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 C301-3009 available by request