G856-6696 Screening compound: methyl 4-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate

G856-6696 Screening compound: methyl 4-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate
G856-6696 Screening compound: methyl 4-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6696
methyl 4-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]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

G856-6696

Molecular Formula

C16H15N5O4S (C16 H15 N5 O4 S)

Compound Name

methyl 4-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 4-[2-({5-methyl-7-oxo-7H8H-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate

SMILES

CC(n1c(SCC(Nc(cc2)ccc2C(OC)=O)=O)nnc1N1)=CC1=O

InChI

InChI=1S/C16H15N5O4S/c1-9-7-12(22)18-15-19-20-16(21(9)15)26-8-13(23)17-11-5-3-10(4-6-11)14(24)25-2/h3-7H,8H2,1-2H3,(H,17,23)(H,18,19,22)

InChI Key

COBHEBXMJLIABV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06713984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.361

Distribution Coefficient, logD

1.345

Water Solubility, LogSw

-2.20

Polar Surface Area

96.020

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G856-6696 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-6696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6696?
Check Price and Availability of G856-6696, 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 G856-6696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6696
  • 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 G856-6696 available by request