C301-2968 Screening compound: 5-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(4-benzylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide

C301-2968 Screening compound: 5-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(4-benzylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
C301-2968 Screening compound: 5-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(4-benzylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2968
5-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(4-benzylpiperazin-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

C301-2968

Molecular Formula

C25H29N5O4 (C25 H29 N5 O4)

Compound Name

5-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[3-(4-benzylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide

IUPAC name

5-[(2H-13-benzodioxol-5-yl)methyl]-N-[3-(4-benzylpiperazin-1-yl)propyl]-134-oxadiazole-2-carboxamide

SMILES

O=C(c1nnc(Cc(cc2)cc3c2OCO3)o1)NCCCN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H29N5O4/c31-24(25-28-27-23(34-25)16-20-7-8-21-22(15-20)33-18-32-21)26-9-4-10-29-11-13-30(14-12-29)17-19-5-2-1-3-6-19/h1-3,5-8,15H,4,9-14,16-18H2,(H,26,31)

InChI Key

FBCRHUDPYABGAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

1.139

Water Solubility, LogSw

-2.63

Polar Surface Area

79.313

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C301-2968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2968?
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What is the minimum amount of C301-2968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2968
  • 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 C301-2968 available by request