G013-0177 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

G013-0177 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
G013-0177 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0177
N-[(1-ethylpyrrolidin-2-yl)methyl]-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

G013-0177

Molecular Formula

C22H27N5O (C22 H27 N5 O)

Compound Name

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

SMILES

CCN1C(CNC(c2c(-n3cccc3)n(-c3cc(C)ccc3)nc2)=O)CCC1

InChI

InChI=1S/C22H27N5O/c1-3-25-13-7-10-19(25)15-23-21(28)20-16-24-27(18-9-6-8-17(2)14-18)22(20)26-11-4-5-12-26/h4-6,8-9,11-12,14,16,19H,3,7,10,13,15H2,1-2H3,(H,23,28)/t19-/m1/s1

InChI Key

MBKACXMGEORAKE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14976546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

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

4.063

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.85

Polar Surface Area

45.415

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

G013-0177 in Drug Discovery

Included in Screening Libraries

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

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 G013-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0177?
Check Price and Availability of G013-0177, 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 G013-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0177
  • 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 G013-0177 available by request