D653-0146 Screening compound: 1-{4-[(2-CHLOROPHENYL)METHOXY]BENZOYL}-4-[(PYRIDIN-4-YL)METHYL]PIPERAZINE

D653-0146 Screening compound: 1-{4-[(2-CHLOROPHENYL)METHOXY]BENZOYL}-4-[(PYRIDIN-4-YL)METHYL]PIPERAZINE
D653-0146 Screening compound: 1-{4-[(2-CHLOROPHENYL)METHOXY]BENZOYL}-4-[(PYRIDIN-4-YL)METHYL]PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0146
1-{4-[(2-CHLOROPHENYL)METHOXY]BENZOYL}-4-[(PYRIDIN-4-YL)METHYL]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

D653-0146

Molecular Formula

C24H24ClN3O2 (C24 H24 ClN3 O2)

Compound Name

1-{4-[(2-CHLOROPHENYL)METHOXY]BENZOYL}-4-[(PYRIDIN-4-YL)METHYL]PIPERAZINE

IUPAC name

n/a

SMILES

O=C(c(cc1)ccc1OCc(cccc1)c1Cl)N1CCN(Cc2ccncc2)CC1

InChI

InChI=1S/C24H24ClN3O2/c25-23-4-2-1-3-21(23)18-30-22-7-5-20(6-8-22)24(29)28-15-13-27(14-16-28)17-19-9-11-26-12-10-19/h1-12H,13-18H2

InChI Key

OJRKEJIOHZASLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079277

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

421.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.951

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.40

Polar Surface Area

37.083

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D653-0146 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D653-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0146?
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What is the minimum amount of D653-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0146
  • 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 D653-0146 available by request