2233-0396 Screening compound: 2-{[(1E)-(6-nitro-1,3-benzodioxol-5-yl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

2233-0396 Screening compound: 2-{[(1E)-(6-nitro-1,3-benzodioxol-5-yl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
2233-0396 Screening compound: 2-{[(1E)-(6-nitro-1,3-benzodioxol-5-yl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2233-0396
2-{[(1E)-(6-nitro-1,3-benzodioxol-5-yl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

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

2233-0396

Molecular Formula

C19H15N3O6 (C19 H15 N3 O6)

Compound Name

2-{[(1E)-(6-nitro-1,3-benzodioxol-5-yl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

IUPAC name

4'-[(E)-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]amino]-4'-azaspiro[cyclopropane-110'-tricyclo[5.2.1.0^{26}]decan]-8'-ene-3'5'-dione

SMILES

[O-][N+](c1c(/C=N/N(C(C(C23)C4C=CC3C43CC3)=O)C2=O)cc2OCOc2c1)=O

InChI

InChI=1S/C19H15N3O6/c23-17-15-10-1-2-11(19(10)3-4-19)16(15)18(24)21(17)20-7-9-5-13-14(28-8-27-13)6-12(9)22(25)26/h1-2,5-7,10-11,15-16H,3-4,8H2

InChI Key

MRWFAVQHZKOANW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01470846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.134

Distribution Coefficient, logD

1.134

Water Solubility, LogSw

-1.83

Polar Surface Area

91.199

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with 2233-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2233-0396?
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What is the minimum amount of 2233-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2233-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2233-0396
  • 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 2233-0396 available by request