5645-0312 Screening compound: 3-(4-fluorophenyl)-5-(4-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

5645-0312 Screening compound: 3-(4-fluorophenyl)-5-(4-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
5645-0312 Screening compound: 3-(4-fluorophenyl)-5-(4-nitrophenyl)-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 5645-0312
3-(4-fluorophenyl)-5-(4-nitrophenyl)-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

5645-0312

Molecular Formula

C26H15FN2O7 (C26 H15 FN2 O7)

Compound Name

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

SMILES

[O-][N+](c(cc1)ccc1N(C(C(C12)C(c(cc3)ccc3F)OC2(C(c2c3cccc2)=O)C3=O)=O)C1=O)=O

InChI

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

InChI Key

GJYYRYPGPPBBPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488268

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

3.032

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.81

Polar Surface Area

97.116

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-8.47

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 5645-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0312?
Check Price and Availability of 5645-0312, 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 5645-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0312
  • 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 5645-0312 available by request