C883-0546 Screening compound: 3-methyl-1-phenyl-N-[3-(propylsulfanyl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

C883-0546 Screening compound: 3-methyl-1-phenyl-N-[3-(propylsulfanyl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
C883-0546 Screening compound: 3-methyl-1-phenyl-N-[3-(propylsulfanyl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0546
3-methyl-1-phenyl-N-[3-(propylsulfanyl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

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

C883-0546

Molecular Formula

C21H26N4OS (C21 H26 N4 OS)

Compound Name

3-methyl-1-phenyl-N-[3-(propylsulfanyl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

IUPAC name

3-methyl-1-phenyl-N-[3-(propylsulfanyl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

SMILES

CCCSCCCNC(c1c(-n2cccc2)n(-c2ccccc2)nc1C)=O

InChI

InChI=1S/C21H26N4OS/c1-3-15-27-16-9-12-22-20(26)19-17(2)23-25(18-10-5-4-6-11-18)21(19)24-13-7-8-14-24/h4-8,10-11,13-14H,3,9,12,15-16H2,1-2H3,(H,22,26)

InChI Key

WOBPNMNYQHSKAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.91

Polar Surface Area

41.974

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C883-0546 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C883-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0546?
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What is the minimum amount of C883-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0546
  • 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 C883-0546 available by request