5750-3113 Screening compound: 3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

5750-3113 Screening compound: 3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
5750-3113 Screening compound: 3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-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 5750-3113
3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-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

5750-3113

Molecular Formula

C28H20ClNO5 (C28 H20 ClNO5)

Compound Name

3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-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-(4-chlorophenyl)-5-(35-dimethylphenyl)-1'33'3a4566a-octahydrospiro[furo[34-c]pyrrole-12'-indene]-1'3'46-tetrone

SMILES

Cc1cc(N(C(C(C23)C(c(cc4)ccc4Cl)OC3(C(c3c4cccc3)=O)C4=O)=O)C2=O)cc(C)c1

InChI

InChI=1S/C28H20ClNO5/c1-14-11-15(2)13-18(12-14)30-26(33)21-22(27(30)34)28(35-23(21)16-7-9-17(29)10-8-16)24(31)19-5-3-4-6-20(19)25(28)32/h3-13,21-23H,1-2H3

InChI Key

JJIYRXZFRCGGNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.92

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

4.708

Distribution Coefficient, logD

4.708

Water Solubility, LogSw

-4.97

Polar Surface Area

63.735

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.40

5750-3113 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5750-3113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-3113?
Check Price and Availability of 5750-3113, 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 5750-3113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-3113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-3113
  • 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 5750-3113 available by request