Y031-6425 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylbutan-1-one

Y031-6425 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylbutan-1-one
Y031-6425 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6425
1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylbutan-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

Y031-6425

Molecular Formula

C22H32ClN3O2 (C22 H32 ClN3 O2)

Compound Name

1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylbutan-1-one

IUPAC name

1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-22-dimethylbutan-1-one

SMILES

CCC(C)(C)C(N(CC1)CCC1C(N(CC1)CCN1c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C22H32ClN3O2/c1-4-22(2,3)21(28)26-10-8-17(9-11-26)20(27)25-14-12-24(13-15-25)19-7-5-6-18(23)16-19/h5-7,16-17H,4,8-15H2,1-3H3

InChI Key

KYRDYXGGZHTGAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13026881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.914

Distribution Coefficient, logD

3.914

Water Solubility, LogSw

-4.11

Polar Surface Area

37.067

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

References: we are preparing a list of scientific research reports with Y031-6425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6425?
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What is the minimum amount of Y031-6425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6425
  • 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 Y031-6425 available by request