8016-3091 Screening compound: 3-[3-(morpholine-4-carbonyl)phenyl]-1-(naphthalen-1-yl)urea

8016-3091 Screening compound: 3-[3-(morpholine-4-carbonyl)phenyl]-1-(naphthalen-1-yl)urea
8016-3091 Screening compound: 3-[3-(morpholine-4-carbonyl)phenyl]-1-(naphthalen-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3091
3-[3-(morpholine-4-carbonyl)phenyl]-1-(naphthalen-1-yl)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

8016-3091

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

3-[3-(morpholine-4-carbonyl)phenyl]-1-(naphthalen-1-yl)urea

IUPAC name

3-[3-(morpholine-4-carbonyl)phenyl]-1-(naphthalen-1-yl)urea

SMILES

O=C(c1cccc(NC(Nc2cccc3ccccc23)=O)c1)N1CCOCC1

InChI

InChI=1S/C22H21N3O3/c26-21(25-11-13-28-14-12-25)17-7-3-8-18(15-17)23-22(27)24-20-10-4-6-16-5-1-2-9-19(16)20/h1-10,15H,11-14H2,(H2,23,24,27)

InChI Key

LFGUAQNEURQYGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.55

Polar Surface Area

56.129

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8016-3091 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8016-3091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3091?
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What is the minimum amount of 8016-3091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3091
  • 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 8016-3091 available by request