G639-3912 Screening compound: 1-(3-fluoro-4-methylbenzoyl)-4-[5-(pyridin-2-yl)-1H-pyrazole-3-carbonyl]piperazine

G639-3912 Screening compound: 1-(3-fluoro-4-methylbenzoyl)-4-[5-(pyridin-2-yl)-1H-pyrazole-3-carbonyl]piperazine
G639-3912 Screening compound: 1-(3-fluoro-4-methylbenzoyl)-4-[5-(pyridin-2-yl)-1H-pyrazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3912
1-(3-fluoro-4-methylbenzoyl)-4-[5-(pyridin-2-yl)-1H-pyrazole-3-carbonyl]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

G639-3912

Molecular Formula

C21H20FN5O2 (C21 H20 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(C(N(CC1)CCN1C(c1n[nH]c(-c2ncccc2)c1)=O)=O)c1)c1F

InChI

InChI=1S/C21H20FN5O2/c1-14-5-6-15(12-16(14)22)20(28)26-8-10-27(11-9-26)21(29)19-13-18(24-25-19)17-4-2-3-7-23-17/h2-7,12-13H,8-11H2,1H3,(H,24,25)

InChI Key

UJKKCPMITSFCOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-2.63

Polar Surface Area

64.881

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G639-3912 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with G639-3912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3912?
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What is the minimum amount of G639-3912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3912
  • 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 G639-3912 available by request