C788-0995 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(4-propylpiperazin-1-yl)ethan-1-one

C788-0995 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(4-propylpiperazin-1-yl)ethan-1-one
C788-0995 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(4-propylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C788-0995
2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(4-propylpiperazin-1-yl)ethan-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

C788-0995

Molecular Formula

C24H31N5O2S (C24 H31 N5 O2 S)

Compound Name

2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(4-propylpiperazin-1-yl)ethan-1-one

IUPAC name

2-{[3-(2-methoxyphenyl)-25-dimethylpyrazolo[15-a]pyrimidin-7-yl]sulfanyl}-1-(4-propylpiperazin-1-yl)ethan-1-one

SMILES

CCCN(CC1)CCN1C(CSc(n1nc2C)cc(C)nc1c2-c(cccc1)c1OC)=O

InChI

InChI=1S/C24H31N5O2S/c1-5-10-27-11-13-28(14-12-27)21(30)16-32-22-15-17(2)25-24-23(18(3)26-29(22)24)19-8-6-7-9-20(19)31-4/h6-9,15H,5,10-14,16H2,1-4H3

InChI Key

YQCSGOMSMQCWPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

2.540

Water Solubility, LogSw

-3.22

Polar Surface Area

48.090

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C788-0995 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C788-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C788-0995?
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What is the minimum amount of C788-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C788-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C788-0995
  • 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 C788-0995 available by request