Y031-5875 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylpropan-1-one

Y031-5875 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylpropan-1-one
Y031-5875 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5875
1-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-2,2-dimethylpropan-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

Y031-5875

Molecular Formula

C21H30ClN3O2 (C21 H30 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H30ClN3O2/c1-21(2,3)20(27)25-9-7-16(8-10-25)19(26)24-13-11-23(12-14-24)18-6-4-5-17(22)15-18/h4-6,15-16H,7-14H2,1-3H3

InChI Key

BNPKPOFFNRLBST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.94

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

3.293

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.41

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

61.90

Y031-5875 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-5875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5875?
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What is the minimum amount of Y031-5875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5875
  • 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 Y031-5875 available by request