C883-0346 Screening compound: 3-methyl-1-phenyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

C883-0346 Screening compound: 3-methyl-1-phenyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
C883-0346 Screening compound: 3-methyl-1-phenyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0346
3-methyl-1-phenyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-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

C883-0346

Molecular Formula

C27H23N5O (C27 H23 N5 O)

Compound Name

3-methyl-1-phenyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

IUPAC name

3-methyl-1-phenyl-N-{4-[(pyridin-4-yl)methyl]phenyl}-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

SMILES

Cc(c(C(Nc1ccc(Cc2ccncc2)cc1)=O)c1-n2cccc2)nn1-c1ccccc1

InChI

InChI=1S/C27H23N5O/c1-20-25(27(31-17-5-6-18-31)32(30-20)24-7-3-2-4-8-24)26(33)29-23-11-9-21(10-12-23)19-22-13-15-28-16-14-22/h2-18H,19H2,1H3,(H,29,33)

InChI Key

GPLIJIWXFJIAFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.40

Polar Surface Area

49.696

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

C883-0346 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C883-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0346?
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What is the minimum amount of C883-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0346
  • 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 C883-0346 available by request