G013-0169 Screening compound: 1-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-(pyridin-2-yl)piperazine

G013-0169 Screening compound: 1-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-(pyridin-2-yl)piperazine
G013-0169 Screening compound: 1-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0169
1-[1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-(pyridin-2-yl)piperazine

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

G013-0169

Molecular Formula

C24H24N6O (C24 H24 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2ncc(C(N(CC3)CCN3c3ncccc3)=O)c2-n2cccc2)c1

InChI

InChI=1S/C24H24N6O/c1-19-7-6-8-20(17-19)30-23(28-11-4-5-12-28)21(18-26-30)24(31)29-15-13-27(14-16-29)22-9-2-3-10-25-22/h2-12,17-18H,13-16H2,1H3

InChI Key

AQTOASMSOWWGHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.19

Polar Surface Area

45.515

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G013-0169 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G013-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0169?
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What is the minimum amount of G013-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0169
  • 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 G013-0169 available by request