4477-0466 Screening compound: 3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

4477-0466 Screening compound: 3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
4477-0466 Screening compound: 3-(4-chlorophenyl)-5-(2-methoxyphenyl)-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 4477-0466
3-(4-chlorophenyl)-5-(2-methoxyphenyl)-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

4477-0466

Molecular Formula

C27H18ClNO6 (C27 H18 ClNO6)

Compound Name

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

SMILES

COc(cccc1)c1N(C(C(C12)C(c(cc3)ccc3Cl)OC2(C(c2c3cccc2)=O)C3=O)=O)C1=O

InChI

InChI=1S/C27H18ClNO6/c1-34-19-9-5-4-8-18(19)29-25(32)20-21(26(29)33)27(35-22(20)14-10-12-15(28)13-11-14)23(30)16-6-2-3-7-17(16)24(27)31/h2-13,20-22H,1H3

InChI Key

IBLDWEXCXNOAAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00521216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.9

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

3.532

Distribution Coefficient, logD

3.532

Water Solubility, LogSw

-4.28

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

18.50

4477-0466 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 4477-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0466?
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What is the minimum amount of 4477-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0466
  • 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 4477-0466 available by request