G370-0787 Screening compound: N-(2-{[(4-methoxybenzyl)amino]carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide

G370-0787 Screening compound: N-(2-{[(4-methoxybenzyl)amino]carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
G370-0787 Screening compound: N-(2-{[(4-methoxybenzyl)amino]carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G370-0787
N-(2-{[(4-methoxybenzyl)amino]carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide

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

G370-0787

Molecular Formula

C20H20N2O4S (C20 H20 N2 O4 S)

Compound Name

N-(2-{[(4-methoxybenzyl)amino]carbonyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide

IUPAC name

N-(2-{[(4-methoxyphenyl)methyl]carbamoyl}phenyl)-56-dihydro-14-oxathiine-2-carboxamide

SMILES

COc1ccc(CNC(c(cccc2)c2NC(C2=CSCCO2)=O)=O)cc1

InChI

InChI=1S/C20H20N2O4S/c1-25-15-8-6-14(7-9-15)12-21-19(23)16-4-2-3-5-17(16)22-20(24)18-13-27-11-10-26-18/h2-9,13H,10-12H2,1H3,(H,21,23)(H,22,24)

InChI Key

SHVBYXRCUHIHRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15004859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-3.17

Polar Surface Area

64.218

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G370-0787 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G370-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G370-0787?
Check Price and Availability of G370-0787, 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 G370-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G370-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G370-0787
  • 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 G370-0787 available by request