C561-3231 Screening compound: 1-(4-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-phenyl-1H-pyrazol-5-yl}piperidin-1-yl)ethan-1-one

C561-3231 Screening compound: 1-(4-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-phenyl-1H-pyrazol-5-yl}piperidin-1-yl)ethan-1-one
C561-3231 Screening compound: 1-(4-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-phenyl-1H-pyrazol-5-yl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3231
1-(4-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-phenyl-1H-pyrazol-5-yl}piperidin-1-yl)ethan-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

C561-3231

Molecular Formula

C28H32ClN5O2 (C28 H32 ClN5 O2)

Compound Name

1-(4-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-phenyl-1H-pyrazol-5-yl}piperidin-1-yl)ethan-1-one

IUPAC name

1-(4-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-phenyl-1H-pyrazol-5-yl}piperidin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCC1c(n(-c1ccccc1)nc1)c1C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)=O

InChI

InChI=1S/C28H32ClN5O2/c1-20-8-9-23(29)18-26(20)32-14-16-33(17-15-32)28(36)25-19-30-34(24-6-4-3-5-7-24)27(25)22-10-12-31(13-11-22)21(2)35/h3-9,18-19,22H,10-17H2,1-2H3

InChI Key

ZVPWKEPFRLCKOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.976

Distribution Coefficient, logD

4.976

Water Solubility, LogSw

-4.96

Polar Surface Area

50.057

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with C561-3231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3231?
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What is the minimum amount of C561-3231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3231
  • 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 C561-3231 available by request