3785-0104 Screening compound: 5-(2-ethoxyphenyl)-3-(4-fluorophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

3785-0104 Screening compound: 5-(2-ethoxyphenyl)-3-(4-fluorophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
3785-0104 Screening compound: 5-(2-ethoxyphenyl)-3-(4-fluorophenyl)-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 3785-0104
5-(2-ethoxyphenyl)-3-(4-fluorophenyl)-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

3785-0104

Molecular Formula

C28H20FNO6 (C28 H20 FNO6)

Compound Name

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

SMILES

CCOc(cccc1)c1N(C(C(C12)C(c(cc3)ccc3F)OC2(C(c2c3cccc2)=O)C3=O)=O)C1=O

InChI

InChI=1S/C28H20FNO6/c1-2-35-20-10-6-5-9-19(20)30-26(33)21-22(27(30)34)28(36-23(21)15-11-13-16(29)14-12-15)24(31)17-7-3-4-8-18(17)25(28)32/h3-14,21-23H,2H2,1H3

InChI Key

GHWKPAAMHDFKFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-4.04

Polar Surface Area

70.644

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

3785-0104 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 3785-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3785-0104?
Check Price and Availability of 3785-0104, 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 3785-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3785-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3785-0104
  • 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 3785-0104 available by request