G866-1013 Screening compound: 1-{4-[3-(4-ethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)ethan-1-one

G866-1013 Screening compound: 1-{4-[3-(4-ethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)ethan-1-one
G866-1013 Screening compound: 1-{4-[3-(4-ethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G866-1013
1-{4-[3-(4-ethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)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

G866-1013

Molecular Formula

C25H27N7O2 (C25 H27 N7 O2)

Compound Name

1-{4-[3-(4-ethoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)ethan-1-one

IUPAC name

1-{4-[3-(4-ethoxyphenyl)-3H-[123]triazolo[45-d]pyrimidin-7-yl]piperazin-1-yl}-2-(3-methylphenyl)ethan-1-one

SMILES

CCOc(cc1)ccc1-n1nnc2c1ncnc2N(CC1)CCN1C(Cc1cc(C)ccc1)=O

InChI

InChI=1S/C25H27N7O2/c1-3-34-21-9-7-20(8-10-21)32-25-23(28-29-32)24(26-17-27-25)31-13-11-30(12-14-31)22(33)16-19-6-4-5-18(2)15-19/h4-10,15,17H,3,11-14,16H2,1-2H3

InChI Key

XEVTXRURQMYDKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08344359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.01

Polar Surface Area

73.678

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

G866-1013 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G866-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G866-1013?
Check Price and Availability of G866-1013, 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 G866-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G866-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G866-1013
  • 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 G866-1013 available by request