8017-4207 Screening compound: 3-(adamantan-1-yl)-1-[5-chloro-2-(morpholin-4-yl)phenyl]urea

8017-4207 Screening compound: 3-(adamantan-1-yl)-1-[5-chloro-2-(morpholin-4-yl)phenyl]urea
8017-4207 Screening compound: 3-(adamantan-1-yl)-1-[5-chloro-2-(morpholin-4-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4207
3-(adamantan-1-yl)-1-[5-chloro-2-(morpholin-4-yl)phenyl]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

8017-4207

Molecular Formula

C21H28ClN3O2 (C21 H28 ClN3 O2)

Compound Name

3-(adamantan-1-yl)-1-[5-chloro-2-(morpholin-4-yl)phenyl]urea

IUPAC name

3-(adamantan-1-yl)-1-[5-chloro-2-(morpholin-4-yl)phenyl]urea

SMILES

O=C(NC1(CC(C2)C3)CC3CC2C1)Nc(cc(cc1)Cl)c1N1CCOCC1

InChI

InChI=1S/C21H28ClN3O2/c22-17-1-2-19(25-3-5-27-6-4-25)18(10-17)23-20(26)24-21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2,(H2,23,24,26)

InChI Key

VLHPFDXLZJLPNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.99

Polar Surface Area

43.921

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

8017-4207 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-4207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4207?
Check Price and Availability of 8017-4207, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-4207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4207
  • 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 8017-4207 available by request