4802-0001 Screening compound: 3-(4-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

4802-0001 Screening compound: 3-(4-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
4802-0001 Screening compound: 3-(4-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 4802-0001
3-(4-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

4802-0001

Molecular Formula

C27H15ClF3NO5 (C27 H15 ClF3 NO5)

Compound Name

3-(4-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-(4-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(cc3)ccc3Cl)OC1(C(c1c3cccc1)=O)C3=O)N2c1c(C(F)(F)F)cccc1

InChI

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

InChI Key

IYQTVQXGMVBYEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03176105

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

4.577

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-5.16

Polar Surface Area

63.434

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-6.42

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 4802-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0001?
Check Price and Availability of 4802-0001, 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 4802-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0001
  • 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 4802-0001 available by request