G639-3445 Screening compound: 4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile

G639-3445 Screening compound: 4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile
G639-3445 Screening compound: 4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3445
4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile

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

G639-3445

Molecular Formula

C21H18N6O2 (C21 H18 N6 O2)

Compound Name

4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile

IUPAC name

4-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazine-1-carbonyl}benzonitrile

SMILES

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

InChI

InChI=1S/C21H18N6O2/c22-14-15-1-3-17(4-2-15)20(28)26-9-11-27(12-10-26)21(29)19-13-18(24-25-19)16-5-7-23-8-6-16/h1-8,13H,9-12H2,(H,24,25)

InChI Key

IQGPPWTZPCUODJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

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

1.139

Distribution Coefficient, logD

1.138

Water Solubility, LogSw

-1.51

Polar Surface Area

82.317

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G639-3445 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G639-3445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3445?
Check Price and Availability of G639-3445, 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 G639-3445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3445
  • 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 G639-3445 available by request