C561-0663 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-0663 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-0663 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0663
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide

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

C561-0663

Molecular Formula

C30H35ClN6O (C30 H35 ClN6 O)

Compound Name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{57-dimethyl-2-phenylpyrazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

Cc1c(CCC(NCCCN(CC2)CCN2c2cccc(Cl)c2)=O)c(C)nc2cc(-c3ccccc3)nn12

InChI

InChI=1S/C30H35ClN6O/c1-22-27(23(2)37-29(33-22)21-28(34-37)24-8-4-3-5-9-24)12-13-30(38)32-14-7-15-35-16-18-36(19-17-35)26-11-6-10-25(31)20-26/h3-6,8-11,20-21H,7,12-19H2,1-2H3,(H,32,38)

InChI Key

IOQCJNIQSKRSSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-4.41

Polar Surface Area

51.005

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

C561-0663 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C561-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0663?
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What is the minimum amount of C561-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0663
  • 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 C561-0663 available by request