8013-4407 Screening compound: 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

8013-4407 Screening compound: 5-(2-methoxyphenyl)-3-(3-methylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
8013-4407 Screening compound: 5-(2-methoxyphenyl)-3-(3-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 8013-4407
5-(2-methoxyphenyl)-3-(3-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

8013-4407

Molecular Formula

C28H21NO6 (C28 H21 NO6)

Compound Name

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

SMILES

Cc1cccc(C(C(C2C(N3c(cccc4)c4OC)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)c1

InChI

InChI=1S/C28H21NO6/c1-15-8-7-9-16(14-15)23-21-22(27(33)29(26(21)32)19-12-5-6-13-20(19)34-2)28(35-23)24(30)17-10-3-4-11-18(17)25(28)31/h3-14,21-23H,1-2H3

InChI Key

WNOBUWCXKKCFJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.97

Polar Surface Area

71.064

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

8013-4407 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-4407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4407?
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What is the minimum amount of 8013-4407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4407
  • 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 8013-4407 available by request