1658-0053 Screening compound: 4-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

1658-0053 Screening compound: 4-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
1658-0053 Screening compound: 4-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1658-0053
4-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-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

1658-0053

Molecular Formula

C22H15BrClNO4 (C22 H15 BrClNO4)

Compound Name

4-bromo-N-[7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

IUPAC name

4-bromo-N-[7-(2-chlorobenzoyl)-23-dihydro-14-benzodioxin-6-yl]benzamide

SMILES

O=C(c(cccc1)c1Cl)c(cc1OCCOc1c1)c1NC(c(cc1)ccc1Br)=O

InChI

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

InChI Key

RXSYCHKRPMITFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00561848

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

4.585

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-4.67

Polar Surface Area

51.922

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1658-0053 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1658-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1658-0053?
Check Price and Availability of 1658-0053, 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 1658-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1658-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1658-0053
  • 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 1658-0053 available by request