5750-2973 Screening compound: 5-cyclohexyl-3-(4-methylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

5750-2973 Screening compound: 5-cyclohexyl-3-(4-methylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
5750-2973 Screening compound: 5-cyclohexyl-3-(4-methylphenyl)-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 5750-2973
5-cyclohexyl-3-(4-methylphenyl)-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

5750-2973

Molecular Formula

C27H25NO5 (C27 H25 NO5)

Compound Name

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

SMILES

Cc1ccc(C(C(C2C(N3C4CCCCC4)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C27H25NO5/c1-15-11-13-16(14-12-15)22-20-21(26(32)28(25(20)31)17-7-3-2-4-8-17)27(33-22)23(29)18-9-5-6-10-19(18)24(27)30/h5-6,9-14,17,20-22H,2-4,7-8H2,1H3

InChI Key

AWAWUILLUYUZGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00532485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.23

Polar Surface Area

63.568

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with 5750-2973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2973?
Check Price and Availability of 5750-2973, 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 5750-2973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2973
  • 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 5750-2973 available by request