C788-0997 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

C788-0997 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
C788-0997 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C788-0997
2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-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

C788-0997

Molecular Formula

C26H28N6O2S (C26 H28 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn2c(SCC(N(CC3)CCN3c3ncccc3)=O)cc(C)nc2c1-c(cccc1)c1OC

InChI

InChI=1S/C26H28N6O2S/c1-18-16-24(32-26(28-18)25(19(2)29-32)20-8-4-5-9-21(20)34-3)35-17-23(33)31-14-12-30(13-15-31)22-10-6-7-11-27-22/h4-11,16H,12-15,17H2,1-3H3

InChI Key

WCLYKNAFFRIMQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.87

Polar Surface Area

56.071

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C788-0997 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C788-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C788-0997?
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What is the minimum amount of C788-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C788-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C788-0997
  • 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 C788-0997 available by request