C561-0928 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one

C561-0928 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
C561-0928 Screening compound: 1-(4-benzylpiperidin-1-yl)-3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0928
1-(4-benzylpiperidin-1-yl)-3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-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

C561-0928

Molecular Formula

C29H31ClN4O (C29 H31 ClN4 O)

Compound Name

1-(4-benzylpiperidin-1-yl)-3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one

IUPAC name

1-(4-benzylpiperidin-1-yl)-3-[2-(4-chlorophenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]propan-1-one

SMILES

Cc1c(CCC(N2CCC(Cc3ccccc3)CC2)=O)c(C)nc2cc(-c(cc3)ccc3Cl)nn12

InChI

InChI=1S/C29H31ClN4O/c1-20-26(21(2)34-28(31-20)19-27(32-34)24-8-10-25(30)11-9-24)12-13-29(35)33-16-14-23(15-17-33)18-22-6-4-3-5-7-22/h3-11,19,23H,12-18H2,1-2H3

InChI Key

GRVGAFLZIVBPQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.248

Distribution Coefficient, logD

6.239

Water Solubility, LogSw

-6.20

Polar Surface Area

35.570

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

C561-0928 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system

References: we are preparing a list of scientific research reports with C561-0928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0928?
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What is the minimum amount of C561-0928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0928
  • 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 C561-0928 available by request