C799-0536 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

C799-0536 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
C799-0536 Screening compound: N-[(3,4-dimethoxyphenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0536
N-[(3,4-dimethoxyphenyl)methyl]-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

C799-0536

Molecular Formula

C25H26N4O3S (C25 H26 N4 O3 S)

Compound Name

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

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

SMILES

COc(ccc(CNC(CSCc1c(-n2cccc2)n(-c2ccccc2)nc1)=O)c1)c1OC

InChI

InChI=1S/C25H26N4O3S/c1-31-22-11-10-19(14-23(22)32-2)15-26-24(30)18-33-17-20-16-27-29(21-8-4-3-5-9-21)25(20)28-12-6-7-13-28/h3-14,16H,15,17-18H2,1-2H3,(H,26,30)

InChI Key

WIKPUMNTDUMZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.22

Polar Surface Area

56.556

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C799-0536 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C799-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0536?
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What is the minimum amount of C799-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0536
  • 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 C799-0536 available by request