3391-6569 Screening compound: 5-(4-fluoro-3-nitrophenyl)-3-phenyl-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

3391-6569 Screening compound: 5-(4-fluoro-3-nitrophenyl)-3-phenyl-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
3391-6569 Screening compound: 5-(4-fluoro-3-nitrophenyl)-3-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 3391-6569
5-(4-fluoro-3-nitrophenyl)-3-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

3391-6569

Molecular Formula

C26H15FN2O7 (C26 H15 FN2 O7)

Compound Name

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

SMILES

[O-][N+](c(cc(cc1)N(C(C(C23)C(c4ccccc4)OC3(C(c3c4cccc3)=O)C4=O)=O)C2=O)c1F)=O

InChI

InChI=1S/C26H15FN2O7/c27-17-11-10-14(12-18(17)29(34)35)28-24(32)19-20(25(28)33)26(36-21(19)13-6-2-1-3-7-13)22(30)15-8-4-5-9-16(15)23(26)31/h1-12,19-21H

InChI Key

SPBHKIKKXSVCFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.88

Polar Surface Area

96.815

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

15.40

3391-6569 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 3391-6569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6569?
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What is the minimum amount of 3391-6569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6569
  • 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 3391-6569 available by request