3331-3341 Screening compound: 2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one

3331-3341 Screening compound: 2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one
3331-3341 Screening compound: 2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-3341
2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one

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

3331-3341

Molecular Formula

C21H21ClO2 (C21 H21 ClO2)

Compound Name

2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one

IUPAC name

2-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one

SMILES

O=C(CC(C(CCCC1)C1=O)c(cc1)ccc1Cl)c1ccccc1

InChI

InChI=1S/C21H21ClO2/c22-17-12-10-15(11-13-17)19(18-8-4-5-9-20(18)23)14-21(24)16-6-2-1-3-7-16/h1-3,6-7,10-13,18-19H,4-5,8-9,14H2

InChI Key

GUEDHQCUZRWRLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01530143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-5.33

Polar Surface Area

26.382

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

3331-3341 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3331-3341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-3341?
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What is the minimum amount of 3331-3341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-3341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-3341
  • 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 3331-3341 available by request