4477-0476 Screening compound: 5-(4-chlorophenyl)-3-phenyl-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

4477-0476 Screening compound: 5-(4-chlorophenyl)-3-phenyl-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
4477-0476 Screening compound: 5-(4-chlorophenyl)-3-phenyl-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 4477-0476
5-(4-chlorophenyl)-3-phenyl-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

4477-0476

Molecular Formula

C26H16ClNO5 (C26 H16 ClNO5)

Compound Name

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

SMILES

O=C(C(C1C2=O)C(c3ccccc3)OC1(C(c1c3cccc1)=O)C3=O)N2c(cc1)ccc1Cl

InChI

InChI=1S/C26H16ClNO5/c27-15-10-12-16(13-11-15)28-24(31)19-20(25(28)32)26(33-21(19)14-6-2-1-3-7-14)22(29)17-8-4-5-9-18(17)23(26)30/h1-13,19-21H

InChI Key

ODNPTVIUVCTLMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-4.33

Polar Surface Area

63.735

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-5.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

15.40

4477-0476 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 4477-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0476?
Check Price and Availability of 4477-0476, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4477-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0476
  • 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 4477-0476 available by request