G013-0316 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

G013-0316 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
G013-0316 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0316
N-{3-[butyl(ethyl)amino]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

G013-0316

Molecular Formula

C24H33N5O (C24 H33 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(CC)CCCNC(c1c(-n2cccc2)n(-c2cc(C)ccc2)nc1)=O

InChI

InChI=1S/C24H33N5O/c1-4-6-14-27(5-2)15-10-13-25-23(30)22-19-26-29(21-12-9-11-20(3)18-21)24(22)28-16-7-8-17-28/h7-9,11-12,16-19H,4-6,10,13-15H2,1-3H3,(H,25,30)

InChI Key

PWBHCZSJVPNCSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-4.80

Polar Surface Area

45.286

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

G013-0316 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 G013-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0316?
Check Price and Availability of G013-0316, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G013-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0316
  • 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 G013-0316 available by request