G639-3483 Screening compound: 1-(4-ethoxybenzoyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine

G639-3483 Screening compound: 1-(4-ethoxybenzoyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine
G639-3483 Screening compound: 1-(4-ethoxybenzoyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3483
1-(4-ethoxybenzoyl)-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

G639-3483

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(N(CC1)CCN1C(c1n[nH]c(-c2ccncc2)c1)=O)=O

InChI

InChI=1S/C22H23N5O3/c1-2-30-18-5-3-17(4-6-18)21(28)26-11-13-27(14-12-26)22(29)20-15-19(24-25-20)16-7-9-23-10-8-16/h3-10,15H,2,11-14H2,1H3,(H,24,25)

InChI Key

HCKGESSLDIVDQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147947

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

1.854

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-1.99

Polar Surface Area

72.385

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G639-3483 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G639-3483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3483?
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What is the minimum amount of G639-3483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3483
  • 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 G639-3483 available by request