S636-2978 Screening compound: 2-{7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2-yl}acetonitrile

S636-2978 Screening compound: 2-{7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2-yl}acetonitrile
S636-2978 Screening compound: 2-{7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2-yl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S636-2978
2-{7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2-yl}acetonitrile

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

S636-2978

Molecular Formula

C13H16N6O4S (C13 H16 N6 O4 S)

Compound Name

2-{7-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2-yl}acetonitrile

IUPAC name

2-{7-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-2-yl}acetonitrile

SMILES

Cc1noc(C)c1S(N(CCC1=NN2CC#N)CCN1C2=O)(=O)=O

InChI

InChI=1S/C13H16N6O4S/c1-9-12(10(2)23-16-9)24(21,22)17-5-3-11-15-19(6-4-14)13(20)18(11)8-7-17/h3,5-8H2,1-2H3

InChI Key

KJXHBACEDYONLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29013912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.439

Distribution Coefficient, logD

-0.439

Water Solubility, LogSw

-0.77

Polar Surface Area

104.815

Acid Dissociation Constant (pKa)

19.24

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

S636-2978 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S636-2978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S636-2978?
Check Price and Availability of S636-2978, 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 S636-2978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S636-2978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S636-2978
  • 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 S636-2978 available by request