2494-0994 Screening compound: 3,3-bis(4-bromophenyl)-1,3-dihydro-2-benzofuran-1-one

2494-0994 Screening compound: 3,3-bis(4-bromophenyl)-1,3-dihydro-2-benzofuran-1-one
2494-0994 Screening compound: 3,3-bis(4-bromophenyl)-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2494-0994
3,3-bis(4-bromophenyl)-1,3-dihydro-2-benzofuran-1-one

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

2494-0994

Molecular Formula

C20H12Br2O2 (C20 H12 Br2 O2)

Compound Name

3,3-bis(4-bromophenyl)-1,3-dihydro-2-benzofuran-1-one

IUPAC name

33-bis(4-bromophenyl)-13-dihydro-2-benzofuran-1-one

SMILES

O=C(c1c2cccc1)OC2(c(cc1)ccc1Br)c(cc1)ccc1Br

InChI

InChI=1S/C20H12Br2O2/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12H

InChI Key

KIDHFNTZQIMNJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01575619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.12

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.484

Distribution Coefficient, logD

6.484

Water Solubility, LogSw

-6.16

Polar Surface Area

20.750

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

2494-0994 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 2494-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2494-0994?
Check Price and Availability of 2494-0994, 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 2494-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2494-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2494-0994
  • 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 2494-0994 available by request