3807-3944 Screening compound: 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone

3807-3944 Screening compound: 3-(3-bromophenyl)-5-(3-chloro-4-methylphenyl)-1',3,3',3a,4,5,6,6a-octahydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6-tetrone
3807-3944 Screening compound: 3-(3-bromophenyl)-5-(3-chloro-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 3807-3944
3-(3-bromophenyl)-5-(3-chloro-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

3807-3944

Molecular Formula

C27H17BrClNO5 (C27 H17 BrClNO5)

Compound Name

3-(3-bromophenyl)-5-(3-chloro-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

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

SMILES

Cc(ccc(N(C(C(C12)C(c3cccc(Br)c3)OC2(C(c2c3cccc2)=O)C3=O)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C27H17BrClNO5/c1-13-9-10-16(12-19(13)29)30-25(33)20-21(26(30)34)27(35-22(20)14-5-4-6-15(28)11-14)23(31)17-7-2-3-8-18(17)24(27)32/h2-12,20-22H,1H3

InChI Key

AFHFBCHKRTTWOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.79

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

5.042

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-5.17

Polar Surface Area

63.735

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

-5.55

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

18.50

3807-3944 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 3807-3944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-3944?
Check Price and Availability of 3807-3944, 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 3807-3944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-3944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-3944
  • 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 3807-3944 available by request