D664-0063 Screening compound: 1,3-dimethyl-5-{[(2,4,4-trimethylpentan-2-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0063 Screening compound: 1,3-dimethyl-5-{[(2,4,4-trimethylpentan-2-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0063 Screening compound: 1,3-dimethyl-5-{[(2,4,4-trimethylpentan-2-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0063
1,3-dimethyl-5-{[(2,4,4-trimethylpentan-2-yl)amino]methyl}-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

D664-0063

Molecular Formula

C18H29N3O (C18 H29 N3 O)

Compound Name

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

IUPAC name

13-dimethyl-5-{[(244-trimethylpentan-2-yl)amino]methyl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

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

InChI

InChI=1S/C18H29N3O/c1-17(2,3)12-18(4,5)19-11-13-8-9-14-15(10-13)21(7)16(22)20(14)6/h8-10,19H,11-12H2,1-7H3

InChI Key

SWTXLNNFRJALPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07410830

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

303.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

-0.590

Water Solubility, LogSw

-3.78

Polar Surface Area

29.042

Acid Dissociation Constant (pKa)

26.21

Base Dissociation Constant (pKb)

11.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

D664-0063 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D664-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0063?
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What is the minimum amount of D664-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0063
  • 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 D664-0063 available by request