G639-3664 Screening compound: 2-(2-fluorophenyl)-1-{4-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one

G639-3664 Screening compound: 2-(2-fluorophenyl)-1-{4-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one
G639-3664 Screening compound: 2-(2-fluorophenyl)-1-{4-[5-(pyridin-3-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3664
2-(2-fluorophenyl)-1-{4-[5-(pyridin-3-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

G639-3664

Molecular Formula

C21H20FN5O2 (C21 H20 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cccc1)c1F)N(CC1)CCN1C(c1n[nH]c(-c2cnccc2)c1)=O

InChI

InChI=1S/C21H20FN5O2/c22-17-6-2-1-4-15(17)12-20(28)26-8-10-27(11-9-26)21(29)19-13-18(24-25-19)16-5-3-7-23-14-16/h1-7,13-14H,8-12H2,(H,24,25)

InChI Key

ZJIWCBIAHDLJAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27148036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.877

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-2.01

Polar Surface Area

64.823

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G639-3664 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 G639-3664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3664?
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What is the minimum amount of G639-3664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3664
  • 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 G639-3664 available by request