D469-0017 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3,3-diethylurea

D469-0017 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3,3-diethylurea
D469-0017 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3,3-diethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0017
1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3,3-diethylurea

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

D469-0017

Molecular Formula

C18H23N3O (C18 H23 N3 O)

Compound Name

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

IUPAC name

1-(2-cyano-33-dimethyl-34-dihydronaphthalen-1-yl)-33-diethylurea

SMILES

CCN(CC)C(NC(c1c(CC2(C)C)cccc1)=C2C#N)=O

InChI

InChI=1S/C18H23N3O/c1-5-21(6-2)17(22)20-16-14-10-8-7-9-13(14)11-18(3,4)15(16)12-19/h7-10H,5-6,11H2,1-4H3,(H,20,22)

InChI Key

LFHZVORWAOWAAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-3.81

Polar Surface Area

42.167

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D469-0017 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D469-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0017?
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What is the minimum amount of D469-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0017
  • 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 D469-0017 available by request