D469-0005 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3-ethylurea

D469-0005 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3-ethylurea
D469-0005 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0005
1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3-ethylurea

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

D469-0005

Molecular Formula

C16H19N3O (C16 H19 N3 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H19N3O/c1-4-18-15(20)19-14-12-8-6-5-7-11(12)9-16(2,3)13(14)10-17/h5-8H,4,9H2,1-3H3,(H2,18,19,20)

InChI Key

ACFSLIZUXCKFQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

2.953

Water Solubility, LogSw

-3.48

Polar Surface Area

50.937

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with D469-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0005?
Check Price and Availability of D469-0005, 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 D469-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0005
  • 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 D469-0005 available by request