D300-0077 Screening compound: 5-[(2-methoxy-4-{[(1-phenylethyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D300-0077 Screening compound: 5-[(2-methoxy-4-{[(1-phenylethyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D300-0077 Screening compound: 5-[(2-methoxy-4-{[(1-phenylethyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D300-0077
5-[(2-methoxy-4-{[(1-phenylethyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

D300-0077

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

5-[(2-methoxy-4-{[(1-phenylethyl)amino]methyl}phenoxy)methyl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-[(2-methoxy-4-{[(1-phenylethyl)amino]methyl}phenoxy)methyl]-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CC(c1ccccc1)NCc(cc1)cc(OC)c1OCc(cc1)cc(N2C)c1N(C)C2=O

InChI

InChI=1S/C26H29N3O3/c1-18(21-8-6-5-7-9-21)27-16-19-11-13-24(25(15-19)31-4)32-17-20-10-12-22-23(14-20)29(3)26(30)28(22)2/h5-15,18,27H,16-17H2,1-4H3/t18-/m0/s1

InChI Key

MTSIOVQXHGDULI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09694192

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

1.061

Water Solubility, LogSw

-3.86

Polar Surface Area

43.588

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

D300-0077 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with D300-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D300-0077?
Check Price and Availability of D300-0077, 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 D300-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D300-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D300-0077
  • 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 D300-0077 available by request