G639-3509 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one

G639-3509 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one
G639-3509 Screening compound: 2-(3-chloro-4-methoxyphenyl)-1-{4-[5-(pyridin-4-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G639-3509
2-(3-chloro-4-methoxyphenyl)-1-{4-[5-(pyridin-4-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

G639-3509

Molecular Formula

C22H22ClN5O3 (C22 H22 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CC(N(CC1)CCN1C(c1n[nH]c(-c2ccncc2)c1)=O)=O)c1)c1Cl

InChI

InChI=1S/C22H22ClN5O3/c1-31-20-3-2-15(12-17(20)23)13-21(29)27-8-10-28(11-9-27)22(30)19-14-18(25-26-19)16-4-6-24-7-5-16/h2-7,12,14H,8-11,13H2,1H3,(H,25,26)

InChI Key

CAKKOHMDIZQOIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27147964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.9

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

2.163

Distribution Coefficient, logD

2.162

Water Solubility, LogSw

-3.21

Polar Surface Area

72.364

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G639-3509 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 G639-3509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G639-3509?
Check Price and Availability of G639-3509, 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 G639-3509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G639-3509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G639-3509
  • 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 G639-3509 available by request