8013-2556 Screening compound: N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-chlorobenzamide

8013-2556 Screening compound: N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-chlorobenzamide
8013-2556 Screening compound: N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2556
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-chlorobenzamide

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

8013-2556

Molecular Formula

C22H15BrClNO4 (C22 H15 BrClNO4)

Compound Name

N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-chlorobenzamide

IUPAC name

N-[7-(2-bromobenzoyl)-23-dihydro-14-benzodioxin-6-yl]-3-chlorobenzamide

SMILES

O=C(c(cccc1)c1Br)c(cc1OCCOc1c1)c1NC(c1cc(Cl)ccc1)=O

InChI

InChI=1S/C22H15BrClNO4/c23-17-7-2-1-6-15(17)21(26)16-11-19-20(29-9-8-28-19)12-18(16)25-22(27)13-4-3-5-14(24)10-13/h1-7,10-12H,8-9H2,(H,25,27)

InChI Key

SVLRDRUAQSYMEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-4.62

Polar Surface Area

51.922

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8013-2556 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8013-2556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2556?
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What is the minimum amount of 8013-2556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2556
  • 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 8013-2556 available by request