6408-0671 Screening compound: 2-(2-bromo-6-methoxy-4-{[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]methyl}phenoxy)-N-tert-butylacetamide

6408-0671 Screening compound: 2-(2-bromo-6-methoxy-4-{[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]methyl}phenoxy)-N-tert-butylacetamide
6408-0671 Screening compound: 2-(2-bromo-6-methoxy-4-{[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]methyl}phenoxy)-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0671
2-(2-bromo-6-methoxy-4-{[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]methyl}phenoxy)-N-tert-butylacetamide

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

6408-0671

Molecular Formula

C21H25BrN4O4 (C21 H25 BrN4 O4)

Compound Name

2-(2-bromo-6-methoxy-4-{[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]methyl}phenoxy)-N-tert-butylacetamide

IUPAC name

2-(2-bromo-6-methoxy-4-{[(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)amino]methyl}phenoxy)-N-tert-butylacetamide

SMILES

CC(C)(C)NC(COc(c(OC)cc(CNc(cc1)cc(N2)c1NC2=O)c1)c1Br)=O

InChI

InChI=1S/C21H25BrN4O4/c1-21(2,3)26-18(27)11-30-19-14(22)7-12(8-17(19)29-4)10-23-13-5-6-15-16(9-13)25-20(28)24-15/h5-9,23H,10-11H2,1-4H3,(H,26,27)(H2,24,25,28)

InChI Key

WYRKVZKORPWADG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04090297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.56

Polar Surface Area

84.798

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6408-0671 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6408-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0671?
Check Price and Availability of 6408-0671, 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 6408-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0671
  • 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 6408-0671 available by request