C883-0235 Screening compound: N-{3-[butyl(methyl)amino]propyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

C883-0235 Screening compound: N-{3-[butyl(methyl)amino]propyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
C883-0235 Screening compound: N-{3-[butyl(methyl)amino]propyl}-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0235
N-{3-[butyl(methyl)amino]propyl}-1-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

C883-0235

Molecular Formula

C22H29N5O (C22 H29 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)CCCNC(c1c(-n2cccc2)n(-c2ccccc2)nc1)=O

InChI

InChI=1S/C22H29N5O/c1-3-4-14-25(2)15-10-13-23-21(28)20-18-24-27(19-11-6-5-7-12-19)22(20)26-16-8-9-17-26/h5-9,11-12,16-18H,3-4,10,13-15H2,1-2H3,(H,23,28)

InChI Key

AXIMZGKWNUIZBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

1.608

Water Solubility, LogSw

-3.88

Polar Surface Area

45.694

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C883-0235 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C883-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0235?
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What is the minimum amount of C883-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0235
  • 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 C883-0235 available by request