3390-0336 Screening compound: 3-(2-chlorophenyl)-5-[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

3390-0336 Screening compound: 3-(2-chlorophenyl)-5-[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
3390-0336 Screening compound: 3-(2-chlorophenyl)-5-[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 3390-0336
3-(2-chlorophenyl)-5-[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

3390-0336

Molecular Formula

C27H15ClF3NO5 (C27 H15 ClF3 NO5)

Compound Name

3-(2-chlorophenyl)-5-[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

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

SMILES

O=C(C(C1C2=O)C(c(cccc3)c3Cl)OC1(C(c1c3cccc1)=O)C3=O)N2c1c(C(F)(F)F)cccc1

InChI

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

InChI Key

PAEZAUXQWQKQKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975629

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

4.476

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.66

Polar Surface Area

63.434

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-6.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

3390-0336 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3390-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3390-0336?
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What is the minimum amount of 3390-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3390-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3390-0336
  • 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 3390-0336 available by request