3448-6689 Screening compound: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-chlorobenzamide

3448-6689 Screening compound: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-chlorobenzamide
3448-6689 Screening compound: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6689
N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-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

3448-6689

Molecular Formula

C22H15BrClNO4 (C22 H15 BrClNO4)

Compound Name

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

IUPAC name

N-[7-(4-bromobenzoyl)-23-dihydro-14-benzodioxin-6-yl]-4-chlorobenzamide

SMILES

O=C(c(cc1)ccc1Br)c(cc1OCCOc1c1)c1NC(c(cc1)ccc1Cl)=O

InChI

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

InChI Key

QYQYZVBMABTKAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02070512

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

4.532

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.69

Polar Surface Area

51.922

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3448-6689 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3448-6689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6689?
Check Price and Availability of 3448-6689, 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 3448-6689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6689
  • 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 3448-6689 available by request