G856-6717 Screening compound: ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

G856-6717 Screening compound: ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
G856-6717 Screening compound: ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6717
ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

G856-6717

Molecular Formula

C20H23N5O4S2 (C20 H23 N5 O4 S2)

Compound Name

ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[2-({5-methyl-7-oxo-7H8H-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)propanamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C)Sc2nnc(N3)n2C(C)=CC3=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C20H23N5O4S2/c1-4-29-18(28)15-12-7-5-6-8-13(12)31-17(15)22-16(27)11(3)30-20-24-23-19-21-14(26)9-10(2)25(19)20/h9,11H,4-8H2,1-3H3,(H,22,27)(H,21,23,26)/t11-/m0/s1

InChI Key

IIVDRASSPSHVQG-NSHDSACASA-N

MDL Number (MFCD)

MFCD06714007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

0.719

Water Solubility, LogSw

-3.33

Polar Surface Area

95.529

Acid Dissociation Constant (pKa)

5.19

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

G856-6717 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-6717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6717?
Check Price and Availability of G856-6717, 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 G856-6717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6717
  • 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 G856-6717 available by request