2054-0467 Screening compound: 4-bromo-N-[2-(3-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]benzamide

2054-0467 Screening compound: 4-bromo-N-[2-(3-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]benzamide
2054-0467 Screening compound: 4-bromo-N-[2-(3-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0467
4-bromo-N-[2-(3-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]benzamide

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

2054-0467

Molecular Formula

C21H13BrN2O4 (C21 H13 BrN2 O4)

Compound Name

4-bromo-N-[2-(3-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]benzamide

IUPAC name

4-bromo-N-[2-(3-hydroxyphenyl)-13-dioxo-23-dihydro-1H-isoindol-5-yl]benzamide

SMILES

Oc1cccc(N(C(c(cc2)c3cc2NC(c(cc2)ccc2Br)=O)=O)C3=O)c1

InChI

InChI=1S/C21H13BrN2O4/c22-13-6-4-12(5-7-13)19(26)23-14-8-9-17-18(10-14)21(28)24(20(17)27)15-2-1-3-16(25)11-15/h1-11,25H,(H,23,26)

InChI Key

LIQFFYNQNGTCOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-4.14

Polar Surface Area

69.588

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2054-0467 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2054-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0467?
Check Price and Availability of 2054-0467, 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 2054-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0467
  • 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 2054-0467 available by request