4477-0465 Screening compound: 5-(2-bromophenyl)-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

4477-0465 Screening compound: 5-(2-bromophenyl)-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
4477-0465 Screening compound: 5-(2-bromophenyl)-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 4477-0465
5-(2-bromophenyl)-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

4477-0465

Molecular Formula

C27H18BrNO5 (C27 H18 BrNO5)

Compound Name

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

SMILES

Cc1ccc(C(C(C2C(N3c(cccc4)c4Br)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C27H18BrNO5/c1-14-10-12-15(13-11-14)22-20-21(26(33)29(25(20)32)19-9-5-4-8-18(19)28)27(34-22)23(30)16-6-2-3-7-17(16)24(27)31/h2-13,20-22H,1H3

InChI Key

OOANICOMFJQBMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00627146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.35

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

4.084

Distribution Coefficient, logD

4.084

Water Solubility, LogSw

-4.46

Polar Surface Area

63.434

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-7.12

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

4477-0465 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 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 4477-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0465?
Check Price and Availability of 4477-0465, 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 4477-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0465
  • 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 4477-0465 available by request