D215-0599 Screening compound: 1,3-dimethyl-5-{[(1-phenylethyl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D215-0599 Screening compound: 1,3-dimethyl-5-{[(1-phenylethyl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D215-0599 Screening compound: 1,3-dimethyl-5-{[(1-phenylethyl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D215-0599
1,3-dimethyl-5-{[(1-phenylethyl)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

D215-0599

Molecular Formula

C18H21N3O (C18 H21 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(c1ccccc1)NCc(cc1)cc(N2C)c1N(C)C2=O

InChI

InChI=1S/C18H21N3O/c1-13(15-7-5-4-6-8-15)19-12-14-9-10-16-17(11-14)21(3)18(22)20(16)2/h4-11,13,19H,12H2,1-3H3/t13-/m0/s1

InChI Key

JJJSFNAYCUSJCN-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07434389

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

-0.331

Water Solubility, LogSw

-2.95

Polar Surface Area

28.643

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

10.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

D215-0599 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D215-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D215-0599?
Check Price and Availability of D215-0599, 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 D215-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D215-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D215-0599
  • 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 D215-0599 available by request