D469-0034 Screening compound: 3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-phenylurea

D469-0034 Screening compound: 3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-phenylurea
D469-0034 Screening compound: 3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0034
3-(2-cyano-3,3-dimethyl-3,4-dihydronaphthalen-1-yl)-1-phenylurea

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

D469-0034

Molecular Formula

C20H19N3O (C20 H19 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(Cc1c2cccc1)C(C#N)=C2NC(Nc1ccccc1)=O

InChI

InChI=1S/C20H19N3O/c1-20(2)12-14-8-6-7-11-16(14)18(17(20)13-21)23-19(24)22-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H2,22,23,24)

InChI Key

RJMLFRMNTHKJLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

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

4.499

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.40

Polar Surface Area

49.717

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D469-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0034?
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What is the minimum amount of D469-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0034
  • 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 D469-0034 available by request