C561-1269 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-1269 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-1269 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1269
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{2,5,7-trimethyl-3-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

C561-1269

Molecular Formula

C31H37ClN6O (C31 H37 ClN6 O)

Compound Name

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

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-{257-trimethyl-3-phenylpyrazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

Cc1nn2c(C)c(CCC(NCCCN(CC3)CCN3c3cccc(Cl)c3)=O)c(C)nc2c1-c1ccccc1

InChI

InChI=1S/C31H37ClN6O/c1-22-28(24(3)38-31(34-22)30(23(2)35-38)25-9-5-4-6-10-25)13-14-29(39)33-15-8-16-36-17-19-37(20-18-36)27-12-7-11-26(32)21-27/h4-7,9-12,21H,8,13-20H2,1-3H3,(H,33,39)

InChI Key

WOGRAYKGOMGCRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.13

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

4.078

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-4.54

Polar Surface Area

52.128

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

C561-1269 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with C561-1269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1269?
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What is the minimum amount of C561-1269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1269
  • 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 C561-1269 available by request