G731-0169 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

G731-0169 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
G731-0169 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0169
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-methoxyphenyl)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

G731-0169

Molecular Formula

C21H22ClN5O2S (C21 H22 ClN5 O2 S)

Compound Name

2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{[5-(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CSc1nnc(-c(cccc2)c2Cl)[nH]1)=O

InChI

InChI=1S/C21H22ClN5O2S/c1-29-18-9-5-4-8-17(18)26-10-12-27(13-11-26)19(28)14-30-21-23-20(24-25-21)15-6-2-3-7-16(15)22/h2-9H,10-14H2,1H3,(H,23,24,25)

InChI Key

CADAGQIVDPUEEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.028

Distribution Coefficient, logD

1.837

Water Solubility, LogSw

-3.61

Polar Surface Area

59.456

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G731-0169 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G731-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0169?
Check Price and Availability of G731-0169, 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 G731-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0169
  • 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 G731-0169 available by request