3389-1166 Screening compound: 3-(2,3-dichlorophenyl)-5-(3-methoxyphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

3389-1166 Screening compound: 3-(2,3-dichlorophenyl)-5-(3-methoxyphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
3389-1166 Screening compound: 3-(2,3-dichlorophenyl)-5-(3-methoxyphenyl)-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 3389-1166
3-(2,3-dichlorophenyl)-5-(3-methoxyphenyl)-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

3389-1166

Molecular Formula

C27H17Cl2NO6 (C27 H17 Cl2 NO6)

Compound Name

3-(2,3-dichlorophenyl)-5-(3-methoxyphenyl)-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-(23-dichlorophenyl)-5-(3-methoxyphenyl)-1'33'3a4566a-octahydrospiro[furo[34-c]pyrrole-12'-indene]-1'3'46-tetrone

SMILES

COc1cccc(N(C(C(C23)C(c4cccc(Cl)c4Cl)OC3(C(c3c4cccc3)=O)C4=O)=O)C2=O)c1

InChI

InChI=1S/C27H17Cl2NO6/c1-35-14-7-4-6-13(12-14)30-25(33)19-20(26(30)34)27(23(31)15-8-2-3-9-16(15)24(27)32)36-22(19)17-10-5-11-18(28)21(17)29/h2-12,19-20,22H,1H3

InChI Key

JUQYVWPODHWDKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.402

Distribution Coefficient, logD

4.402

Water Solubility, LogSw

-4.67

Polar Surface Area

71.278

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

3389-1166 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3389-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-1166?
Check Price and Availability of 3389-1166, 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 3389-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-1166
  • 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 3389-1166 available by request