G639-3547 Screening compound: 1-(1-methyl-1H-pyrazole-5-carbonyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine

G639-3547 Screening compound: 1-(1-methyl-1H-pyrazole-5-carbonyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine
G639-3547 Screening compound: 1-(1-methyl-1H-pyrazole-5-carbonyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3547
1-(1-methyl-1H-pyrazole-5-carbonyl)-4-[5-(pyridin-4-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

G639-3547

Molecular Formula

C18H19N7O2 (C18 H19 N7 O2)

Compound Name

1-(1-methyl-1H-pyrazole-5-carbonyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine

IUPAC name

1-(1-methyl-1H-pyrazole-5-carbonyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine

SMILES

Cn1nccc1C(N(CC1)CCN1C(c1n[nH]c(-c2ccncc2)c1)=O)=O

InChI

InChI=1S/C18H19N7O2/c1-23-16(4-7-20-23)18(27)25-10-8-24(9-11-25)17(26)15-12-14(21-22-15)13-2-5-19-6-3-13/h2-7,12H,8-11H2,1H3,(H,21,22)

InChI Key

PZMJQYOYOVWJEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.036

Distribution Coefficient, logD

0.034

Water Solubility, LogSw

-1.10

Polar Surface Area

78.911

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G639-3547 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G639-3547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3547?
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What is the minimum amount of G639-3547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3547
  • 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 G639-3547 available by request