4917-0123 Screening compound: 2-(2-methoxy-4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

4917-0123 Screening compound: 2-(2-methoxy-4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
4917-0123 Screening compound: 2-(2-methoxy-4-nitrophenyl)-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 4917-0123
2-(2-methoxy-4-nitrophenyl)-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

4917-0123

Molecular Formula

C18H16N2O5 (C18 H16 N2 O5)

Compound Name

2-(2-methoxy-4-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione

IUPAC name

4'-(2-methoxy-4-nitrophenyl)-4'-azaspiro[cyclopropane-110'-tricyclo[5.2.1.0^{26}]decan]-8'-ene-3'5'-dione

SMILES

COc(cc(cc1)[N+]([O-])=O)c1N(C(C(C12)C3C=CC2C32CC2)=O)C1=O

InChI

InChI=1S/C18H16N2O5/c1-25-13-8-9(20(23)24)2-5-12(13)19-16(21)14-10-3-4-11(15(14)17(19)22)18(10)6-7-18/h2-5,8,10-11,14-15H,6-7H2,1H3

InChI Key

JBCAMKLHDOHEPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01470870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.554

Distribution Coefficient, logD

1.554

Water Solubility, LogSw

-2.08

Polar Surface Area

70.687

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

-8.36

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 4917-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4917-0123?
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What is the minimum amount of 4917-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4917-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4917-0123
  • 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 4917-0123 available by request