4181-4576 Screening compound: 5-(naphthalen-1-yl)-3-[4-(propan-2-yl)phenyl]-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

4181-4576 Screening compound: 5-(naphthalen-1-yl)-3-[4-(propan-2-yl)phenyl]-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
4181-4576 Screening compound: 5-(naphthalen-1-yl)-3-[4-(propan-2-yl)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 4181-4576
5-(naphthalen-1-yl)-3-[4-(propan-2-yl)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

4181-4576

Molecular Formula

C33H25NO5 (C33 H25 NO5)

Compound Name

5-(naphthalen-1-yl)-3-[4-(propan-2-yl)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-(naphthalen-1-yl)-3-[4-(propan-2-yl)phenyl]-1'33'3a4566a-octahydrospiro[furo[34-c]pyrrole-12'-indene]-1'3'46-tetrone

SMILES

CC(C)c1ccc(C(C(C2C(N3c4cccc5ccccc45)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C33H25NO5/c1-18(2)19-14-16-21(17-15-19)28-26-27(33(39-28)29(35)23-11-5-6-12-24(23)30(33)36)32(38)34(31(26)37)25-13-7-9-20-8-3-4-10-22(20)25/h3-18,26-28H,1-2H3

InChI Key

BAXZIKYVNBJHQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.672

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-6.64

Polar Surface Area

63.162

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-5.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.20

4181-4576 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4181-4576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4181-4576?
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What is the minimum amount of 4181-4576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4181-4576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4181-4576
  • 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 4181-4576 available by request