S636-1293 Screening compound: 3-{[2-(2-methoxyethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methyl}benzonitrile

S636-1293 Screening compound: 3-{[2-(2-methoxyethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methyl}benzonitrile
S636-1293 Screening compound: 3-{[2-(2-methoxyethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S636-1293
3-{[2-(2-methoxyethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methyl}benzonitrile

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

S636-1293

Molecular Formula

C17H21N5O2 (C17 H21 N5 O2)

Compound Name

3-{[2-(2-methoxyethyl)-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methyl}benzonitrile

IUPAC name

3-{[2-(2-methoxyethyl)-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-7-yl]methyl}benzonitrile

SMILES

COCCN1N=C(CCN(Cc2cc(C#N)ccc2)CC2)N2C1=O

InChI

InChI=1S/C17H21N5O2/c1-24-10-9-22-17(23)21-8-7-20(6-5-16(21)19-22)13-15-4-2-3-14(11-15)12-18/h2-4,11H,5-10,13H2,1H3

InChI Key

LECQQTQGYVJMDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29013946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.032

Distribution Coefficient, logD

0.816

Water Solubility, LogSw

-1.78

Polar Surface Area

62.705

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

7.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

S636-1293 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S636-1293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S636-1293?
Check Price and Availability of S636-1293, 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 S636-1293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S636-1293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S636-1293
  • 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 S636-1293 available by request