G013-0143 Screening compound: 2-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

G013-0143 Screening compound: 2-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline
G013-0143 Screening compound: 2-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0143
2-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

G013-0143

Molecular Formula

C24H22N4O (C24 H22 N4 O)

Compound Name

2-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc1cccc(-n2ncc(C(N(CC3)Cc4c3cccc4)=O)c2-n2cccc2)c1

InChI

InChI=1S/C24H22N4O/c1-18-7-6-10-21(15-18)28-23(26-12-4-5-13-26)22(16-25-28)24(29)27-14-11-19-8-2-3-9-20(19)17-27/h2-10,12-13,15-16H,11,14,17H2,1H3

InChI Key

UCXOITCEYOZXMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-4.72

Polar Surface Area

33.405

Acid Dissociation Constant (pKa)

24.26

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G013-0143 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 G013-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0143?
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What is the minimum amount of G013-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0143
  • 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 G013-0143 available by request