C301-8739 Screening compound: 1-[(4-bromophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

C301-8739 Screening compound: 1-[(4-bromophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
C301-8739 Screening compound: 1-[(4-bromophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8739
1-[(4-bromophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methoxyphenyl)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

C301-8739

Molecular Formula

C26H25BrN4O2 (C26 H25 BrN4 O2)

Compound Name

1-[(4-bromophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

IUPAC name

1-[(4-bromophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1C(c1nnc(-c2ccccc2)o1)c(cc1)ccc1Br

InChI

InChI=1S/C26H25BrN4O2/c1-32-23-10-6-5-9-22(23)30-15-17-31(18-16-30)24(19-11-13-21(27)14-12-19)26-29-28-25(33-26)20-7-3-2-4-8-20/h2-14,24H,15-18H2,1H3/t24-/m1/s1

InChI Key

BEMGFAXTNPCSEP-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14745629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.750

Distribution Coefficient, logD

5.749

Water Solubility, LogSw

-5.75

Polar Surface Area

44.097

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C301-8739 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-8739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8739?
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What is the minimum amount of C301-8739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8739
  • 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 C301-8739 available by request