5086-0067 Screening compound: 5,6-dibromo-2-(4-hydroxyphenyl)-octahydro-1H-isoindole-1,3-dione

5086-0067 Screening compound: 5,6-dibromo-2-(4-hydroxyphenyl)-octahydro-1H-isoindole-1,3-dione
5086-0067 Screening compound: 5,6-dibromo-2-(4-hydroxyphenyl)-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5086-0067
5,6-dibromo-2-(4-hydroxyphenyl)-octahydro-1H-isoindole-1,3-dione

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

5086-0067

Molecular Formula

C14H13Br2NO3 (C14 H13 Br2 NO3)

Compound Name

5,6-dibromo-2-(4-hydroxyphenyl)-octahydro-1H-isoindole-1,3-dione

IUPAC name

56-dibromo-2-(4-hydroxyphenyl)-octahydro-1H-isoindole-13-dione

SMILES

Oc(cc1)ccc1N(C(C(CC1Br)C2CC1Br)=O)C2=O

InChI

InChI=1S/C14H13Br2NO3/c15-11-5-9-10(6-12(11)16)14(20)17(13(9)19)7-1-3-8(18)4-2-7/h1-4,9-12,18H,5-6H2

InChI Key

KKPZIIQFEYLENP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01068323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.191

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-2.54

Polar Surface Area

46.689

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.90

5086-0067 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5086-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5086-0067?
Check Price and Availability of 5086-0067, 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 5086-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5086-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5086-0067
  • 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 5086-0067 available by request