G639-3462 Screening compound: 2-(4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one

G639-3462 Screening compound: 2-(4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one
G639-3462 Screening compound: 2-(4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3462
2-(4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one

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

G639-3462

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

2-(4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one

SMILES

COc1ccc(CC(N(CC2)CCN2C(c2n[nH]c(-c3ccncc3)c2)=O)=O)cc1

InChI

InChI=1S/C22H23N5O3/c1-30-18-4-2-16(3-5-18)14-21(28)26-10-12-27(13-11-26)22(29)20-15-19(24-25-20)17-6-8-23-9-7-17/h2-9,15H,10-14H2,1H3,(H,24,25)

InChI Key

YGIGYPFSQOFBFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.747

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-1.72

Polar Surface Area

72.277

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G639-3462 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G639-3462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3462?
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What is the minimum amount of G639-3462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3462
  • 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 G639-3462 available by request