4477-0734 Screening compound: 3-(4-methylphenyl)-5-(3-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

4477-0734 Screening compound: 3-(4-methylphenyl)-5-(3-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
4477-0734 Screening compound: 3-(4-methylphenyl)-5-(3-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0734
3-(4-methylphenyl)-5-(3-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

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

4477-0734

Molecular Formula

C27H18N2O7 (C27 H18 N2 O7)

Compound Name

3-(4-methylphenyl)-5-(3-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

IUPAC name

3-(4-methylphenyl)-5-(3-nitrophenyl)-1'33'3a4566a-octahydrospiro[furo[34-c]pyrrole-12'-indene]-1'3'46-tetrone

SMILES

Cc1ccc(C(C(C2C(N3c4cccc([N+]([O-])=O)c4)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C27H18N2O7/c1-14-9-11-15(12-10-14)22-20-21(27(36-22)23(30)18-7-2-3-8-19(18)24(27)31)26(33)28(25(20)32)16-5-4-6-17(13-16)29(34)35/h2-13,20-22H,1H3

InChI Key

YOZRGPRGGUCZAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-4.02

Polar Surface Area

97.116

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-7.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 4477-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0734?
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What is the minimum amount of 4477-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0734
  • 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 4477-0734 available by request