4181-2455 Screening compound: 3-(2-chlorophenyl)-5-(naphthalen-1-yl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

4181-2455 Screening compound: 3-(2-chlorophenyl)-5-(naphthalen-1-yl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
4181-2455 Screening compound: 3-(2-chlorophenyl)-5-(naphthalen-1-yl)-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 4181-2455
3-(2-chlorophenyl)-5-(naphthalen-1-yl)-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

4181-2455

Molecular Formula

C30H18ClNO5 (C30 H18 ClNO5)

Compound Name

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

SMILES

O=C(C(C1C2=O)C(c(cccc3)c3Cl)OC1(C(c1c3cccc1)=O)C3=O)N2c1cccc2ccccc12

InChI

InChI=1S/C30H18ClNO5/c31-21-14-6-5-13-20(21)25-23-24(30(37-25)26(33)18-11-3-4-12-19(18)27(30)34)29(36)32(28(23)35)22-15-7-9-16-8-1-2-10-17(16)22/h1-15,23-25H

InChI Key

JVJGTRBIYMNBEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02242583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.93

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

4.828

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-5.00

Polar Surface Area

63.162

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-6.27

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

13.30

4181-2455 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 4181-2455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4181-2455?
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What is the minimum amount of 4181-2455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4181-2455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4181-2455
  • 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 4181-2455 available by request