D469-0118 Screening compound: 3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(4-fluorophenyl)urea

D469-0118 Screening compound: 3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(4-fluorophenyl)urea
D469-0118 Screening compound: 3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D469-0118
3-(2-cyano-3-ethyl-3-methyl-3,4-dihydronaphthalen-1-yl)-1-(4-fluorophenyl)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

D469-0118

Molecular Formula

C21H20FN3O (C21 H20 FN3 O)

Compound Name

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

IUPAC name

3-(2-cyano-3-ethyl-3-methyl-34-dihydronaphthalen-1-yl)-1-(4-fluorophenyl)urea

SMILES

CCC(C)(Cc1c2cccc1)C(C#N)=C2NC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C21H20FN3O/c1-3-21(2)12-14-6-4-5-7-17(14)19(18(21)13-23)25-20(26)24-16-10-8-15(22)9-11-16/h4-11H,3,12H2,1-2H3,(H2,24,25,26)/t21-/m0/s1

InChI Key

NTTQPMRVEDMGHJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14830548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

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

4.910

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-4.58

Polar Surface Area

49.717

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with D469-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D469-0118?
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What is the minimum amount of D469-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D469-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D469-0118
  • 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 D469-0118 available by request