3391-6570 Screening compound: 3-(4-chlorophenyl)-5-(4-fluoro-3-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

3391-6570 Screening compound: 3-(4-chlorophenyl)-5-(4-fluoro-3-nitrophenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
3391-6570 Screening compound: 3-(4-chlorophenyl)-5-(4-fluoro-3-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 3391-6570
3-(4-chlorophenyl)-5-(4-fluoro-3-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

3391-6570

Molecular Formula

C26H14ClFN2O7 (C26 H14 ClFN2 O7)

Compound Name

3-(4-chlorophenyl)-5-(4-fluoro-3-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-chlorophenyl)-5-(4-fluoro-3-nitrophenyl)-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(c(cc4)ccc4Cl)OC3(C(c3c4cccc3)=O)C4=O)=O)C2=O)c1F)=O

InChI

InChI=1S/C26H14ClFN2O7/c27-13-7-5-12(6-8-13)21-19-20(26(37-21)22(31)15-3-1-2-4-16(15)23(26)32)25(34)29(24(19)33)14-9-10-17(28)18(11-14)30(35)36/h1-11,19-21H

InChI Key

YFYHYKXNBBWWIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01947437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.86

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

3.640

Distribution Coefficient, logD

3.640

Water Solubility, LogSw

-4.42

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

References: we are preparing a list of scientific research reports with 3391-6570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6570?
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What is the minimum amount of 3391-6570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6570
  • 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 3391-6570 available by request