D469-0009 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3-propylurea

D469-0009 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3-propylurea
D469-0009 Screening compound: 1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0009
1-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-3-propylurea

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

D469-0009

Molecular Formula

C17H21N3O (C17 H21 N3 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H21N3O/c1-4-9-19-16(21)20-15-13-8-6-5-7-12(13)10-17(2,3)14(15)11-18/h5-8H,4,9-10H2,1-3H3,(H2,19,20,21)

InChI Key

UNNRGYRBLDEIHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

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

3.374

Distribution Coefficient, logD

3.315

Water Solubility, LogSw

-3.68

Polar Surface Area

51.152

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with D469-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0009?
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What is the minimum amount of D469-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0009
  • 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 D469-0009 available by request