S637-0296 Screening compound: 2-fluoro-N~1~-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-benzenesulfonamide

S637-0296 Screening compound: 2-fluoro-N~1~-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-benzenesulfonamide
S637-0296 Screening compound: 2-fluoro-N~1~-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0296
2-fluoro-N~1~-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-benzenesulfonamide

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

S637-0296

Molecular Formula

C14H17FN4O2S (C14 H17 FN4 O2 S)

Compound Name

2-fluoro-N~1~-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-benzenesulfonamide

IUPAC name

2-fluoro-N-{3-methyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}benzene-1-sulfonamide

SMILES

Cc1nnc(CC2)n1CCC2NS(c(cccc1)c1F)(=O)=O

InChI

InChI=1S/C14H17FN4O2S/c1-10-16-17-14-7-6-11(8-9-19(10)14)18-22(20,21)13-5-3-2-4-12(13)15/h2-5,11,18H,6-9H2,1H3/t11-/m0/s1

InChI Key

ZDZKJORUUBHZSH-NSHDSACASA-N

MDL Number (MFCD)

MFCD29017393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.892

Distribution Coefficient, logD

0.891

Water Solubility, LogSw

-2.20

Polar Surface Area

67.816

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S637-0296 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with S637-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0296?
Check Price and Availability of S637-0296, 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 S637-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0296
  • 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 S637-0296 available by request