D469-0027 Screening compound: 3-(2-cyano-3,3-diethyl-3,4-dihydronaphthalen-1-yl)-1-cyclohexylurea

D469-0027 Screening compound: 3-(2-cyano-3,3-diethyl-3,4-dihydronaphthalen-1-yl)-1-cyclohexylurea
D469-0027 Screening compound: 3-(2-cyano-3,3-diethyl-3,4-dihydronaphthalen-1-yl)-1-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0027
3-(2-cyano-3,3-diethyl-3,4-dihydronaphthalen-1-yl)-1-cyclohexylurea

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

D469-0027

Molecular Formula

C22H29N3O (C22 H29 N3 O)

Compound Name

3-(2-cyano-3,3-diethyl-3,4-dihydronaphthalen-1-yl)-1-cyclohexylurea

IUPAC name

3-(2-cyano-33-diethyl-34-dihydronaphthalen-1-yl)-1-cyclohexylurea

SMILES

CCC(CC)(Cc1c2cccc1)C(C#N)=C2NC(NC1CCCCC1)=O

InChI

InChI=1S/C22H29N3O/c1-3-22(4-2)14-16-10-8-9-13-18(16)20(19(22)15-23)25-21(26)24-17-11-6-5-7-12-17/h8-10,13,17H,3-7,11-12,14H2,1-2H3,(H2,24,25,26)

InChI Key

SDYBDUYWRARXPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-4.49

Polar Surface Area

50.765

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with D469-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0027?
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What is the minimum amount of D469-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0027
  • 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 D469-0027 available by request