G639-3549 Screening compound: 3-fluoro-4-[(4-{[5-(4-pyridyl)-1H-pyrazol-3-yl]carbonyl}piperazino)carbonyl]benzonitrile

G639-3549 Screening compound: 3-fluoro-4-[(4-{[5-(4-pyridyl)-1H-pyrazol-3-yl]carbonyl}piperazino)carbonyl]benzonitrile
G639-3549 Screening compound: 3-fluoro-4-[(4-{[5-(4-pyridyl)-1H-pyrazol-3-yl]carbonyl}piperazino)carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3549
3-fluoro-4-[(4-{[5-(4-pyridyl)-1H-pyrazol-3-yl]carbonyl}piperazino)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

G639-3549

Molecular Formula

C21H17FN6O2 (C21 H17 FN6 O2)

Compound Name

3-fluoro-4-[(4-{[5-(4-pyridyl)-1H-pyrazol-3-yl]carbonyl}piperazino)carbonyl]benzonitrile

IUPAC name

n/a

SMILES

N#Cc(cc1)cc(F)c1C(N(CC1)CCN1C(c1n[nH]c(-c2ccncc2)c1)=O)=O

InChI

InChI=1S/C21H17FN6O2/c22-17-11-14(13-23)1-2-16(17)20(29)27-7-9-28(10-8-27)21(30)19-12-18(25-26-19)15-3-5-24-6-4-15/h1-6,11-12H,7-10H2,(H,25,26)

InChI Key

MVTRETATLSPNAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

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

1.663

Distribution Coefficient, logD

1.661

Water Solubility, LogSw

-2.13

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

G639-3549 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G639-3549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3549?
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What is the minimum amount of G639-3549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3549
  • 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 G639-3549 available by request