S638-0740 Screening compound: N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2,1,3-benzothiadiazole-4-sulfonamide

S638-0740 Screening compound: N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2,1,3-benzothiadiazole-4-sulfonamide
S638-0740 Screening compound: N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-0740
N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2,1,3-benzothiadiazole-4-sulfonamide

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

S638-0740

Molecular Formula

C14H16N6O3S2 (C14 H16 N6 O3 S2)

Compound Name

N-{2-methyl-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-{2-methyl-3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-213-benzothiadiazole-4-sulfonamide

SMILES

CN1N=C(CCC(CC2)NS(c3cccc4nsnc34)(=O)=O)N2C1=O

InChI

InChI=1S/C14H16N6O3S2/c1-19-14(21)20-8-7-9(5-6-12(20)15-19)18-25(22,23)11-4-2-3-10-13(11)17-24-16-10/h2-4,9,18H,5-8H2,1H3/t9-/m0/s1

InChI Key

MGUFFEUNPWGAGY-VIFPVBQESA-N

MDL Number (MFCD)

MFCD29015731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.331

Distribution Coefficient, logD

1.327

Water Solubility, LogSw

-2.12

Polar Surface Area

95.924

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

S638-0740 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S638-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-0740?
Check Price and Availability of S638-0740, 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 S638-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-0740
  • 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 S638-0740 available by request