S638-0361 Screening compound: 5-chloro-2-methoxy-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-sulfonamide

S638-0361 Screening compound: 5-chloro-2-methoxy-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-sulfonamide
S638-0361 Screening compound: 5-chloro-2-methoxy-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-0361
5-chloro-2-methoxy-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}benzene-1-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

S638-0361

Molecular Formula

C14H17ClN4O4S (C14 H17 ClN4 O4 S)

Compound Name

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

IUPAC name

5-chloro-2-methoxy-N-{3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}benzene-1-sulfonamide

SMILES

COc(ccc(Cl)c1)c1S(NC(CCC1=NN2)CCN1C2=O)(=O)=O

InChI

InChI=1S/C14H17ClN4O4S/c1-23-11-4-2-9(15)8-12(11)24(21,22)18-10-3-5-13-16-17-14(20)19(13)7-6-10/h2,4,8,10,18H,3,5-7H2,1H3,(H,17,20)/t10-/m0/s1

InChI Key

MVWNYMZDGZVOOU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD29013696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.750

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-2.92

Polar Surface Area

91.252

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

S638-0361 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S638-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-0361?
Check Price and Availability of S638-0361, 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 S638-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-0361
  • 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 S638-0361 available by request