3535-0412 Screening compound: 5-(2-methoxy-4-nitrophenyl)-3-(4-methylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

3535-0412 Screening compound: 5-(2-methoxy-4-nitrophenyl)-3-(4-methylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
3535-0412 Screening compound: 5-(2-methoxy-4-nitrophenyl)-3-(4-methylphenyl)-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 3535-0412
5-(2-methoxy-4-nitrophenyl)-3-(4-methylphenyl)-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

3535-0412

Molecular Formula

C28H20N2O8 (C28 H20 N2 O8)

Compound Name

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

IUPAC name

5-(2-methoxy-4-nitrophenyl)-3-(4-methylphenyl)-1'33'3a4566a-octahydrospiro[furo[34-c]pyrrole-12'-indene]-1'3'46-tetrone

SMILES

Cc1ccc(C(C(C2C(N3c(ccc([N+]([O-])=O)c4)c4OC)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C28H20N2O8/c1-14-7-9-15(10-8-14)23-21-22(28(38-23)24(31)17-5-3-4-6-18(17)25(28)32)27(34)29(26(21)33)19-12-11-16(30(35)36)13-20(19)37-2/h3-13,21-23H,1-2H3

InChI Key

SEINZSSVZMCFNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.656

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-4.14

Polar Surface Area

104.446

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-7.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 3535-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0412?
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What is the minimum amount of 3535-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0412
  • 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 3535-0412 available by request