G866-0658 Screening compound: 1-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-4-[2-(ethylsulfanyl)benzoyl]piperazine

G866-0658 Screening compound: 1-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-4-[2-(ethylsulfanyl)benzoyl]piperazine
G866-0658 Screening compound: 1-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-4-[2-(ethylsulfanyl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G866-0658
1-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-4-[2-(ethylsulfanyl)benzoyl]piperazine

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

G866-0658

Molecular Formula

C23H22ClN7OS (C23 H22 ClN7 OS)

Compound Name

1-[3-(4-chlorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-4-[2-(ethylsulfanyl)benzoyl]piperazine

IUPAC name

1-[3-(4-chlorophenyl)-3H-[123]triazolo[45-d]pyrimidin-7-yl]-4-[2-(ethylsulfanyl)benzoyl]piperazine

SMILES

CCSc(cccc1)c1C(N(CC1)CCN1c(ncnc12)c2nnn1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H22ClN7OS/c1-2-33-19-6-4-3-5-18(19)23(32)30-13-11-29(12-14-30)21-20-22(26-15-25-21)31(28-27-20)17-9-7-16(24)8-10-17/h3-10,15H,2,11-14H2,1H3

InChI Key

RXJOIUHXRJEHAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08343944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.53

Polar Surface Area

67.081

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G866-0658 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G866-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G866-0658?
Check Price and Availability of G866-0658, 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 G866-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G866-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G866-0658
  • 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 G866-0658 available by request