D469-0065 Screening compound: 3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-(2-ethylphenyl)urea

D469-0065 Screening compound: 3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-(2-ethylphenyl)urea
D469-0065 Screening compound: 3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-(2-ethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0065
3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-(2-ethylphenyl)urea

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

D469-0065

Molecular Formula

C22H23N3O (C22 H23 N3 O)

Compound Name

3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-(2-ethylphenyl)urea

IUPAC name

3-(2-cyano-33-dimethyl-34-dihydronaphthalen-1-yl)-1-(2-ethylphenyl)urea

SMILES

CCc(cccc1)c1NC(NC(c1c(CC2(C)C)cccc1)=C2C#N)=O

InChI

InChI=1S/C22H23N3O/c1-4-15-9-6-8-12-19(15)24-21(26)25-20-17-11-7-5-10-16(17)13-22(2,3)18(20)14-23/h5-12H,4,13H2,1-3H3,(H2,24,25,26)

InChI Key

LPROFEJJEOWSMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.191

Distribution Coefficient, logD

4.942

Water Solubility, LogSw

-5.02

Polar Surface Area

49.019

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D469-0065 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D469-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0065?
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What is the minimum amount of D469-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0065
  • 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 D469-0065 available by request