C301-4306 Screening compound: 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2,5-dimethylphenyl)piperazine

C301-4306 Screening compound: 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2,5-dimethylphenyl)piperazine
C301-4306 Screening compound: 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4306
1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2,5-dimethylphenyl)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

C301-4306

Molecular Formula

C21H23BrN4O (C21 H23 BrN4 O)

Compound Name

1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2,5-dimethylphenyl)piperazine

IUPAC name

1-{[5-(3-bromophenyl)-134-oxadiazol-2-yl]methyl}-4-(25-dimethylphenyl)piperazine

SMILES

Cc1cc(N2CCN(Cc3nnc(-c4cccc(Br)c4)o3)CC2)c(C)cc1

InChI

InChI=1S/C21H23BrN4O/c1-15-6-7-16(2)19(12-15)26-10-8-25(9-11-26)14-20-23-24-21(27-20)17-4-3-5-18(22)13-17/h3-7,12-13H,8-11,14H2,1-2H3

InChI Key

BTBUFRXIHQPACD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-4.60

Polar Surface Area

37.112

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-4306 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-4306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4306?
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What is the minimum amount of C301-4306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4306
  • 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 C301-4306 available by request