C795-0590 Screening compound: N-(3,5-dimethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

C795-0590 Screening compound: N-(3,5-dimethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
C795-0590 Screening compound: N-(3,5-dimethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0590
N-(3,5-dimethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

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

C795-0590

Molecular Formula

C24H24N4OS (C24 H24 N4 OS)

Compound Name

N-(3,5-dimethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

IUPAC name

N-(35-dimethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

SMILES

Cc1cc(NC(CSCc2c(-n3cccc3)n(-c3ccccc3)nc2)=O)cc(C)c1

InChI

InChI=1S/C24H24N4OS/c1-18-12-19(2)14-21(13-18)26-23(29)17-30-16-20-15-25-28(22-8-4-3-5-9-22)24(20)27-10-6-7-11-27/h3-15H,16-17H2,1-2H3,(H,26,29)

InChI Key

SAVUSXBSGRVRNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.740

Distribution Coefficient, logD

5.740

Water Solubility, LogSw

-5.24

Polar Surface Area

39.973

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C795-0590 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 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:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0590?
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What is the minimum amount of C795-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0590
  • 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 C795-0590 available by request