4477-0735 Screening compound: 3-(4-chlorophenyl)-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

4477-0735 Screening compound: 3-(4-chlorophenyl)-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
4477-0735 Screening compound: 3-(4-chlorophenyl)-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 4477-0735
3-(4-chlorophenyl)-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

4477-0735

Molecular Formula

C26H15ClN2O7 (C26 H15 ClN2 O7)

Compound Name

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

SMILES

[O-][N+](c1cccc(N(C(C(C23)C(c(cc4)ccc4Cl)OC3(C(c3c4cccc3)=O)C4=O)=O)C2=O)c1)=O

InChI

InChI=1S/C26H15ClN2O7/c27-14-10-8-13(9-11-14)21-19-20(26(36-21)22(30)17-6-1-2-7-18(17)23(26)31)25(33)28(24(19)32)15-4-3-5-16(12-15)29(34)35/h1-12,19-21H

InChI Key

GOJVYIANGUBDLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.87

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

3.548

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-4.26

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

15.40

References: we are preparing a list of scientific research reports with 4477-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0735?
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What is the minimum amount of 4477-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0735
  • 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 4477-0735 available by request