3847-0079 Screening compound: N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)benzamide

3847-0079 Screening compound: N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)benzamide
3847-0079 Screening compound: N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3847-0079
N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)benzamide

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

3847-0079

Molecular Formula

C18H16N2O3 (C18 H16 N2 O3)

Compound Name

N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)benzamide

IUPAC name

N-{3'5'-dioxo-4'-azaspiro[cyclopropane-110'-tricyclo[5.2.1.0^{26}]decan]-8'-en-4'-yl}benzamide

SMILES

O=C(c1ccccc1)NN(C(C(C12)C3C=CC2C32CC2)=O)C1=O

InChI

InChI=1S/C18H16N2O3/c21-15(10-4-2-1-3-5-10)19-20-16(22)13-11-6-7-12(14(13)17(20)23)18(11)8-9-18/h1-7,11-14H,8-9H2,(H,19,21)

InChI Key

AAIVVQDGLIMYBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01232928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.525

Distribution Coefficient, logD

0.508

Water Solubility, LogSw

-1.68

Polar Surface Area

56.989

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.90

3847-0079 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3847-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3847-0079?
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What is the minimum amount of 3847-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3847-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3847-0079
  • 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 3847-0079 available by request