G639-3476 Screening compound: 1-(3-methoxybenzoyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine

G639-3476 Screening compound: 1-(3-methoxybenzoyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine
G639-3476 Screening compound: 1-(3-methoxybenzoyl)-4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3476
1-(3-methoxybenzoyl)-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

G639-3476

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N(CC2)CCN2C(c2n[nH]c(-c3ccncc3)c2)=O)=O)c1

InChI

InChI=1S/C21H21N5O3/c1-29-17-4-2-3-16(13-17)20(27)25-9-11-26(12-10-25)21(28)19-14-18(23-24-19)15-5-7-22-8-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,24)

InChI Key

XTFHMMUGEKWHQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.463

Distribution Coefficient, logD

1.462

Water Solubility, LogSw

-1.55

Polar Surface Area

72.805

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G639-3476 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G639-3476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3476?
Check Price and Availability of G639-3476, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G639-3476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3476
  • 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 G639-3476 available by request