G013-0329 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

G013-0329 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
G013-0329 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0329
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methylphenyl)-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

G013-0329

Molecular Formula

C29H34N6O (C29 H34 N6 O)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

SMILES

Cc1cccc(-n2ncc(C(NCCCN3CCN(Cc4ccccc4)CC3)=O)c2-n2cccc2)c1

InChI

InChI=1S/C29H34N6O/c1-24-9-7-12-26(21-24)35-29(34-15-5-6-16-34)27(22-31-35)28(36)30-13-8-14-32-17-19-33(20-18-32)23-25-10-3-2-4-11-25/h2-7,9-12,15-16,21-22H,8,13-14,17-20,23H2,1H3,(H,30,36)

InChI Key

PHDSUOSVCDHDOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

3.903

Water Solubility, LogSw

-4.10

Polar Surface Area

48.873

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

G013-0329 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G013-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0329?
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What is the minimum amount of G013-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0329
  • 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 G013-0329 available by request