3643-3487 Screening compound: 2-(2-bromophenoxy)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide

3643-3487 Screening compound: 2-(2-bromophenoxy)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide
3643-3487 Screening compound: 2-(2-bromophenoxy)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3487
2-(2-bromophenoxy)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide

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

3643-3487

Molecular Formula

C19H18BrN3O5S (C19 H18 BrN3 O5 S)

Compound Name

2-(2-bromophenoxy)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide

IUPAC name

n/a

SMILES

Cc1c(NS(c(cc2)ccc2NC(COc(cccc2)c2Br)=O)(=O)=O)onc1C

InChI

InChI=1S/C19H18BrN3O5S/c1-12-13(2)22-28-19(12)23-29(25,26)15-9-7-14(8-10-15)21-18(24)11-27-17-6-4-3-5-16(17)20/h3-10,23H,11H2,1-2H3,(H,21,24)

InChI Key

PEEPWZJSEKZMTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

1.404

Water Solubility, LogSw

-3.91

Polar Surface Area

94.016

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

3643-3487 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3643-3487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3487?
Check Price and Availability of 3643-3487, 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 3643-3487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3487
  • 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 3643-3487 available by request