D215-0759 Screening compound: 5-[(3-phenylprop-2-yn-1-yl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one

D215-0759 Screening compound: 5-[(3-phenylprop-2-yn-1-yl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one
D215-0759 Screening compound: 5-[(3-phenylprop-2-yn-1-yl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D215-0759
5-[(3-phenylprop-2-yn-1-yl)amino]-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

D215-0759

Molecular Formula

C16H13N3O (C16 H13 N3 O)

Compound Name

5-[(3-phenylprop-2-yn-1-yl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-[(3-phenylprop-2-yn-1-yl)amino]-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1Nc(cc(cc2)NCC#Cc3ccccc3)c2N1

InChI

InChI=1S/C16H13N3O/c20-16-18-14-9-8-13(11-15(14)19-16)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,10H2,(H2,18,19,20)

InChI Key

QQQOVPRFZPONAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434368

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

263.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.174

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-3.32

Polar Surface Area

46.041

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D215-0759 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Fragments
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D215-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D215-0759?
Check Price and Availability of D215-0759, 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 D215-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D215-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D215-0759
  • 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 D215-0759 available by request