C301-8705 Screening compound: 1-[(4-bromophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine

C301-8705 Screening compound: 1-[(4-bromophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
C301-8705 Screening compound: 1-[(4-bromophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8705
1-[(4-bromophenyl)(5-phenyl-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

C301-8705

Molecular Formula

C27H27BrN4O (C27 H27 BrN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(CC2)CCN2C(c2nnc(-c3ccccc3)o2)c(cc2)ccc2Br)c(C)cc1

InChI

InChI=1S/C27H27BrN4O/c1-19-8-9-20(2)24(18-19)31-14-16-32(17-15-31)25(21-10-12-23(28)13-11-21)27-30-29-26(33-27)22-6-4-3-5-7-22/h3-13,18,25H,14-17H2,1-2H3/t25-/m1/s1

InChI Key

WTEPYLZEXADMIT-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14745602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.907

Distribution Coefficient, logD

6.907

Water Solubility, LogSw

-5.85

Polar Surface Area

36.467

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C301-8705 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 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 C301-8705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8705?
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What is the minimum amount of C301-8705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8705
  • 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 C301-8705 available by request