S638-2350 Screening compound: 7-{[(furan-3-yl)methyl](methyl)amino}-2-methyl-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one

S638-2350 Screening compound: 7-{[(furan-3-yl)methyl](methyl)amino}-2-methyl-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one
S638-2350 Screening compound: 7-{[(furan-3-yl)methyl](methyl)amino}-2-methyl-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-2350
7-{[(furan-3-yl)methyl](methyl)amino}-2-methyl-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one

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

S638-2350

Molecular Formula

C14H20N4O2 (C14 H20 N4 O2)

Compound Name

7-{[(furan-3-yl)methyl](methyl)amino}-2-methyl-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-one

IUPAC name

7-{[(furan-3-yl)methyl](methyl)amino}-2-methyl-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-3-one

SMILES

CN(Cc1cocc1)C(CCC1=NN2C)CCN1C2=O

InChI

InChI=1S/C14H20N4O2/c1-16(9-11-6-8-20-10-11)12-3-4-13-15-17(2)14(19)18(13)7-5-12/h6,8,10,12H,3-5,7,9H2,1-2H3/t12-/m1/s1

InChI Key

RTQBUXVYSNKDLL-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29013773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.130

Distribution Coefficient, logD

-2.976

Water Solubility, LogSw

-1.66

Polar Surface Area

43.865

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

11.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

S638-2350 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S638-2350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-2350?
Check Price and Availability of S638-2350, 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 S638-2350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-2350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-2350
  • 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 S638-2350 available by request