G866-0278 Screening compound: methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate

G866-0278 Screening compound: methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate
G866-0278 Screening compound: methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G866-0278
methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate

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

G866-0278

Molecular Formula

C24H23N7O3 (C24 H23 N7 O3)

Compound Name

methyl 2-{4-[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate

IUPAC name

methyl 2-{4-[3-(4-methylphenyl)-3H-[123]triazolo[45-d]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate

SMILES

Cc(cc1)ccc1-n1nnc2c1ncnc2N(CC1)CCN1C(c(cccc1)c1C(OC)=O)=O

InChI

InChI=1S/C24H23N7O3/c1-16-7-9-17(10-8-16)31-22-20(27-28-31)21(25-15-26-22)29-11-13-30(14-12-29)23(32)18-5-3-4-6-19(18)24(33)34-2/h3-10,15H,11-14H2,1-2H3

InChI Key

OOHMTATUGGOCIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08343503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.802

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-3.23

Polar Surface Area

88.255

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G866-0278 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G866-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G866-0278?
Check Price and Availability of G866-0278, 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 G866-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G866-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G866-0278
  • 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 G866-0278 available by request