G013-0311 Screening compound: 1-(3-methylphenyl)-N-[3-(piperidin-1-yl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

G013-0311 Screening compound: 1-(3-methylphenyl)-N-[3-(piperidin-1-yl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
G013-0311 Screening compound: 1-(3-methylphenyl)-N-[3-(piperidin-1-yl)propyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0311
1-(3-methylphenyl)-N-[3-(piperidin-1-yl)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

G013-0311

Molecular Formula

C23H29N5O (C23 H29 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2ncc(C(NCCCN3CCCCC3)=O)c2-n2cccc2)c1

InChI

InChI=1S/C23H29N5O/c1-19-9-7-10-20(17-19)28-23(27-15-5-6-16-27)21(18-25-28)22(29)24-11-8-14-26-12-3-2-4-13-26/h5-7,9-10,15-18H,2-4,8,11-14H2,1H3,(H,24,29)

InChI Key

JXZMMULYWYQZBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

1.774

Water Solubility, LogSw

-3.96

Polar Surface Area

45.332

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G013-0311 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 G013-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0311?
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What is the minimum amount of G013-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0311
  • 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 G013-0311 available by request