S368-0695 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide

S368-0695 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide
S368-0695 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S368-0695
6-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-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

S368-0695

Molecular Formula

C21H18ClN3O4 (C21 H18 ClN3 O4)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide

IUPAC name

6-(2H-13-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-4H6H7H-pyrazolo[32-c][14]oxazine-2-carboxamide

SMILES

Cc(ccc(NC(c1nn(CC(c(cc2)cc3c2OCO3)OC2)c2c1)=O)c1)c1Cl

InChI

InChI=1S/C21H18ClN3O4/c1-12-2-4-14(7-16(12)22)23-21(26)17-8-15-10-27-20(9-25(15)24-17)13-3-5-18-19(6-13)29-11-28-18/h2-8,20H,9-11H2,1H3,(H,23,26)/t20-/m1/s1

InChI Key

USBJGPVLWSVJFZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD29001445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.381

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.58

Polar Surface Area

62.188

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

S368-0695 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S368-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S368-0695?
Check Price and Availability of S368-0695, 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 S368-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S368-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S368-0695
  • 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 S368-0695 available by request