D664-0096 Screening compound: 5-{[(3-methoxypropyl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

D664-0096 Screening compound: 5-{[(3-methoxypropyl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
D664-0096 Screening compound: 5-{[(3-methoxypropyl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0096
5-{[(3-methoxypropyl)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

D664-0096

Molecular Formula

C14H21N3O2 (C14 H21 N3 O2)

Compound Name

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

IUPAC name

5-{[(3-methoxypropyl)amino]methyl}-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(CNCCCOC)c1)c1N1C)C1=O

InChI

InChI=1S/C14H21N3O2/c1-16-12-6-5-11(10-15-7-4-8-19-3)9-13(12)17(2)14(16)18/h5-6,9,15H,4,7-8,10H2,1-3H3

InChI Key

OBSRFJOSVCPZJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09688571

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

263.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.797

Distribution Coefficient, logD

-2.719

Water Solubility, LogSw

-1.96

Polar Surface Area

38.144

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

10.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D664-0096 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D664-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0096?
Check Price and Availability of D664-0096, 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 D664-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0096
  • 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 D664-0096 available by request