4582-0258 Screening compound: ethyl 4-[5-(3-methylphenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-3-yl]benzoate

4582-0258 Screening compound: ethyl 4-[5-(3-methylphenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-3-yl]benzoate
4582-0258 Screening compound: ethyl 4-[5-(3-methylphenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-3-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0258
ethyl 4-[5-(3-methylphenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-3-yl]benzoate

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

4582-0258

Molecular Formula

C30H23NO7 (C30 H23 NO7)

Compound Name

ethyl 4-[5-(3-methylphenyl)-1',3',4,6-tetraoxo-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-3-yl]benzoate

IUPAC name

ethyl 4-[5-(3-methylphenyl)-1'3'46-tetraoxo-1'33'3a4566a-octahydrospiro[furo[34-c]pyrrole-12'-inden]-3-yl]benzoate

SMILES

CCOC(c1ccc(C(C(C2C(N3c4cc(C)ccc4)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)cc1)=O

InChI

InChI=1S/C30H23NO7/c1-3-37-29(36)18-13-11-17(12-14-18)24-22-23(28(35)31(27(22)34)19-8-6-7-16(2)15-19)30(38-24)25(32)20-9-4-5-10-21(20)26(30)33/h4-15,22-24H,3H2,1-2H3

InChI Key

FUAMBEDWPHCSAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.177

Distribution Coefficient, logD

4.177

Water Solubility, LogSw

-4.34

Polar Surface Area

84.488

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with 4582-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0258?
Check Price and Availability of 4582-0258, 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 4582-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0258
  • 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 4582-0258 available by request