S638-0378 Screening compound: 1-(3-fluorophenyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}methanesulfonamide

S638-0378 Screening compound: 1-(3-fluorophenyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}methanesulfonamide
S638-0378 Screening compound: 1-(3-fluorophenyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S638-0378
1-(3-fluorophenyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}methanesulfonamide

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

S638-0378

Molecular Formula

C14H17FN4O3S (C14 H17 FN4 O3 S)

Compound Name

1-(3-fluorophenyl)-N-{3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}methanesulfonamide

IUPAC name

1-(3-fluorophenyl)-N-{3-oxo-2H3H5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}methanesulfonamide

SMILES

O=C1N(CCC(CC2)NS(Cc3cc(F)ccc3)(=O)=O)C2=NN1

InChI

InChI=1S/C14H17FN4O3S/c15-11-3-1-2-10(8-11)9-23(21,22)18-12-4-5-13-16-17-14(20)19(13)7-6-12/h1-3,8,12,18H,4-7,9H2,(H,17,20)/t12-/m0/s1

InChI Key

SBFRPSPPIIFMQY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29013700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

1.685

Water Solubility, LogSw

-2.44

Polar Surface Area

85.249

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

S638-0378 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S638-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S638-0378?
Check Price and Availability of S638-0378, 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 S638-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S638-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S638-0378
  • 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 S638-0378 available by request