D664-0093 Screening compound: 1,3-dimethyl-5-{[(propan-2-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0093 Screening compound: 1,3-dimethyl-5-{[(propan-2-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0093 Screening compound: 1,3-dimethyl-5-{[(propan-2-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0093
1,3-dimethyl-5-{[(propan-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

D664-0093

Molecular Formula

C13H19N3O (C13 H19 N3 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H19N3O/c1-9(2)14-8-10-5-6-11-12(7-10)16(4)13(17)15(11)3/h5-7,9,14H,8H2,1-4H3

InChI Key

NFFBOYXHEBJXCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08757584

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

233.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.289

Distribution Coefficient, logD

-2.975

Water Solubility, LogSw

-2.10

Polar Surface Area

28.726

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

11.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D664-0093 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 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

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D664-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0093?
Check Price and Availability of D664-0093, 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 D664-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0093
  • 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 D664-0093 available by request