8014-2031 Screening compound: 3-(4-chlorophenyl)-5-(2-phenylethyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

8014-2031 Screening compound: 3-(4-chlorophenyl)-5-(2-phenylethyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
8014-2031 Screening compound: 3-(4-chlorophenyl)-5-(2-phenylethyl)-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 8014-2031
3-(4-chlorophenyl)-5-(2-phenylethyl)-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

8014-2031

Molecular Formula

C28H20ClNO5 (C28 H20 ClNO5)

Compound Name

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

SMILES

O=C(C(C12)C(c(cc3)ccc3Cl)OC2(C(c2c3cccc2)=O)C3=O)N(CCc2ccccc2)C1=O

InChI

InChI=1S/C28H20ClNO5/c29-18-12-10-17(11-13-18)23-21-22(27(34)30(26(21)33)15-14-16-6-2-1-3-7-16)28(35-23)24(31)19-8-4-5-9-20(19)25(28)32/h1-13,21-23H,14-15H2

InChI Key

FEUIRKRPDBCGBB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-5.01

Polar Surface Area

64.325

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-6.70

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 8014-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2031?
Check Price and Availability of 8014-2031, 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 8014-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2031
  • 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 8014-2031 available by request