0627-0044 Screening compound: 2-[4-(4-bromophenoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

0627-0044 Screening compound: 2-[4-(4-bromophenoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
0627-0044 Screening compound: 2-[4-(4-bromophenoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0044
2-[4-(4-bromophenoxy)phenyl]-2,3-dihydro-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

0627-0044

Molecular Formula

C20H12BrNO3 (C20 H12 BrNO3)

Compound Name

2-[4-(4-bromophenoxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[4-(4-bromophenoxy)phenyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c(cccc1)c1C1=O)N1c(cc1)ccc1Oc(cc1)ccc1Br

InChI

InChI=1S/C20H12BrNO3/c21-13-5-9-15(10-6-13)25-16-11-7-14(8-12-16)22-19(23)17-3-1-2-4-18(17)20(22)24/h1-12H

InChI Key

AELXBOUMQZVFBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.224

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.39

Polar Surface Area

35.628

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0627-0044 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 0627-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0044?
Check Price and Availability of 0627-0044, 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 0627-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0044
  • 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 0627-0044 available by request