0290-0027 Screening compound: 2-[(3-bromophenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione

0290-0027 Screening compound: 2-[(3-bromophenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione
0290-0027 Screening compound: 2-[(3-bromophenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0290-0027
2-[(3-bromophenyl)methylidene]-2,3-dihydro-1H-indene-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

0290-0027

Molecular Formula

C16H9BrO2 (C16 H9 BrO2)

Compound Name

2-[(3-bromophenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-[(3-bromophenyl)methylidene]-23-dihydro-1H-indene-13-dione

SMILES

O=C(C1=Cc2cccc(Br)c2)c(cccc2)c2C1=O

InChI

InChI=1S/C16H9BrO2/c17-11-5-3-4-10(8-11)9-14-15(18)12-6-1-2-7-13(12)16(14)19/h1-9H

InChI Key

SSWWUXCZVZHJMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00432946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.57

Polar Surface Area

26.546

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0290-0027 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0290-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0290-0027?
Check Price and Availability of 0290-0027, 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 0290-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0290-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0290-0027
  • 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 0290-0027 available by request