3807-4160 Screening compound: 5-[4-(4-chlorophenoxy)phenyl]-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

3807-4160 Screening compound: 5-[4-(4-chlorophenoxy)phenyl]-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
3807-4160 Screening compound: 5-[4-(4-chlorophenoxy)phenyl]-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 3807-4160
5-[4-(4-chlorophenoxy)phenyl]-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

3807-4160

Molecular Formula

C33H22ClNO6 (C33 H22 ClNO6)

Compound Name

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

SMILES

Cc1ccc(C(C(C2C(N3c(cc4)ccc4Oc(cc4)ccc4Cl)=O)C3=O)OC2(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C33H22ClNO6/c1-18-6-8-19(9-7-18)28-26-27(33(41-28)29(36)24-4-2-3-5-25(24)30(33)37)32(39)35(31(26)38)21-12-16-23(17-13-21)40-22-14-10-20(34)11-15-22/h2-17,26-28H,1H3

InChI Key

ZIVSOIYCCBEZCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.814

Distribution Coefficient, logD

5.814

Water Solubility, LogSw

-6.18

Polar Surface Area

70.482

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-4.83

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

15.20

3807-4160 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3807-4160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-4160?
Check Price and Availability of 3807-4160, 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 3807-4160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-4160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-4160
  • 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 3807-4160 available by request