S368-1084 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide

S368-1084 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide
S368-1084 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S368-1084
6-(2H-1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]-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

S368-1084

Molecular Formula

C22H21N3O5 (C22 H21 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CNC(c2nn(CC(c(cc3)cc4c3OCO4)OC3)c3c2)=O)c1

InChI

InChI=1S/C22H21N3O5/c1-27-17-4-2-3-14(7-17)10-23-22(26)18-9-16-12-28-21(11-25(16)24-18)15-5-6-19-20(8-15)30-13-29-19/h2-9,21H,10-13H2,1H3,(H,23,26)/t21-/m1/s1

InChI Key

CQNPUMIOAPXNFI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29001451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.832

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.31

Polar Surface Area

71.054

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

S368-1084 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S368-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S368-1084?
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What is the minimum amount of S368-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S368-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S368-1084
  • 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 S368-1084 available by request