D300-0305 Screening compound: 5-{1-hydroxy-2-[4-({[2-(4-methoxyphenyl)ethyl]amino}methyl)phenoxy]ethyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D300-0305 Screening compound: 5-{1-hydroxy-2-[4-({[2-(4-methoxyphenyl)ethyl]amino}methyl)phenoxy]ethyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D300-0305 Screening compound: 5-{1-hydroxy-2-[4-({[2-(4-methoxyphenyl)ethyl]amino}methyl)phenoxy]ethyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D300-0305
5-{1-hydroxy-2-[4-({[2-(4-methoxyphenyl)ethyl]amino}methyl)phenoxy]ethyl}-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

D300-0305

Molecular Formula

C27H31N3O4 (C27 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(C(COc1ccc(CNCCc(cc2)ccc2OC)cc1)O)c1)c1N1C)C1=O

InChI

InChI=1S/C27H31N3O4/c1-29-24-13-8-21(16-25(24)30(2)27(29)32)26(31)18-34-23-11-6-20(7-12-23)17-28-15-14-19-4-9-22(33-3)10-5-19/h4-13,16,26,28,31H,14-15,17-18H2,1-3H3/t26-/m0/s1

InChI Key

WPMXERFBZVUQNN-SANMLTNESA-N

MDL Number (MFCD)

MFCD08235340

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.736

Distribution Coefficient, logD

1.334

Water Solubility, LogSw

-3.23

Polar Surface Area

60.454

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

D300-0305 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D300-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D300-0305?
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What is the minimum amount of D300-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D300-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D300-0305
  • 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 D300-0305 available by request