3652-0268 Screening compound: 5-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

3652-0268 Screening compound: 5-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
3652-0268 Screening compound: 5-(4-chlorophenyl)-3-[2-(trifluoromethyl)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 3652-0268
5-(4-chlorophenyl)-3-[2-(trifluoromethyl)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

3652-0268

Molecular Formula

C27H15ClF3NO5 (C27 H15 ClF3 NO5)

Compound Name

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

SMILES

O=C(C(C1C2=O)C(c3c(C(F)(F)F)cccc3)OC1(C(c1c3cccc1)=O)C3=O)N2c(cc1)ccc1Cl

InChI

InChI=1S/C27H15ClF3NO5/c28-13-9-11-14(12-10-13)32-24(35)19-20(25(32)36)26(22(33)15-5-1-2-6-16(15)23(26)34)37-21(19)17-7-3-4-8-18(17)27(29,30)31/h1-12,19-21H

InChI Key

ZWLPHQWKKCSQQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.442

Distribution Coefficient, logD

4.442

Water Solubility, LogSw

-4.92

Polar Surface Area

63.735

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-6.60

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

3652-0268 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3652-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3652-0268?
Check Price and Availability of 3652-0268, 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 3652-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3652-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3652-0268
  • 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 3652-0268 available by request