D469-0104 Screening compound: 3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(3-methylphenyl)urea

D469-0104 Screening compound: 3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(3-methylphenyl)urea
D469-0104 Screening compound: 3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(3-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0104
3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(3-methylphenyl)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

D469-0104

Molecular Formula

C22H23N3O (C22 H23 N3 O)

Compound Name

3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(3-methylphenyl)urea

IUPAC name

3-(2-cyano-3-ethyl-3-methyl-34-dihydronaphthalen-1-yl)-1-(3-methylphenyl)urea

SMILES

CCC(C)(Cc1c2cccc1)C(C#N)=C2NC(Nc1cc(C)ccc1)=O

InChI

InChI=1S/C22H23N3O/c1-4-22(3)13-16-9-5-6-11-18(16)20(19(22)14-23)25-21(26)24-17-10-7-8-15(2)12-17/h5-12H,4,13H2,1-3H3,(H2,24,25,26)/t22-/m0/s1

InChI Key

UDTMUKAPIZETDP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27588228

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

5.241

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.02

Polar Surface Area

49.717

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D469-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0104?
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What is the minimum amount of D469-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0104
  • 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 D469-0104 available by request