C561-0847 Screening compound: methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate

C561-0847 Screening compound: methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate
C561-0847 Screening compound: methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0847
methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate

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

C561-0847

Molecular Formula

C25H23ClN4O3 (C25 H23 ClN4 O3)

Compound Name

methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamido}benzoate

IUPAC name

methyl 2-{3-[2-(4-chlorophenyl)-57-dimethylpyrazolo[15-a]pyrimidin-6-yl]propanamido}benzoate

SMILES

Cc1c(CCC(Nc(cccc2)c2C(OC)=O)=O)c(C)nc2cc(-c(cc3)ccc3Cl)nn12

InChI

InChI=1S/C25H23ClN4O3/c1-15-19(12-13-24(31)28-21-7-5-4-6-20(21)25(32)33-3)16(2)30-23(27-15)14-22(29-30)17-8-10-18(26)11-9-17/h4-11,14H,12-13H2,1-3H3,(H,28,31)

InChI Key

MXHGZRKOPHERGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.708

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.82

Polar Surface Area

63.075

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C561-0847 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C561-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0847?
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What is the minimum amount of C561-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0847
  • 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 C561-0847 available by request