D664-0101 Screening compound: 5-({[(2-methoxyphenyl)methyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0101 Screening compound: 5-({[(2-methoxyphenyl)methyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0101 Screening compound: 5-({[(2-methoxyphenyl)methyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0101
5-({[(2-methoxyphenyl)methyl]amino}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

D664-0101

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(CNCc(cccc1)c1OC)c1)c1N1C)C1=O

InChI

InChI=1S/C18H21N3O2/c1-20-15-9-8-13(10-16(15)21(2)18(20)22)11-19-12-14-6-4-5-7-17(14)23-3/h4-10,19H,11-12H2,1-3H3

InChI Key

YLMXKIZVUGBFDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09689236

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.454

Distribution Coefficient, logD

-0.332

Water Solubility, LogSw

-2.84

Polar Surface Area

37.319

Acid Dissociation Constant (pKa)

25.28

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D664-0101 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D664-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0101?
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What is the minimum amount of D664-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0101
  • 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 D664-0101 available by request