6539-2712 Screening compound: N-(3,5-dimethyladamantan-1-yl)-2-(morpholin-4-yl)quinazolin-4-amine

6539-2712 Screening compound: N-(3,5-dimethyladamantan-1-yl)-2-(morpholin-4-yl)quinazolin-4-amine
6539-2712 Screening compound: N-(3,5-dimethyladamantan-1-yl)-2-(morpholin-4-yl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6539-2712
N-(3,5-dimethyladamantan-1-yl)-2-(morpholin-4-yl)quinazolin-4-amine

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

6539-2712

Molecular Formula

C24H32N4O (C24 H32 N4 O)

Compound Name

N-(3,5-dimethyladamantan-1-yl)-2-(morpholin-4-yl)quinazolin-4-amine

IUPAC name

N-(35-dimethyladamantan-1-yl)-2-(morpholin-4-yl)quinazolin-4-amine

SMILES

CC(CC(C1)C2)(CC1(C)C1)CC12Nc1nc(N2CCOCC2)nc2ccccc12

InChI

InChI=1S/C24H32N4O/c1-22-11-17-12-23(2,14-22)16-24(13-17,15-22)27-20-18-5-3-4-6-19(18)25-21(26-20)28-7-9-29-10-8-28/h3-6,17H,7-16H2,1-2H3,(H,25,26,27)

InChI Key

NEQKRQNJWVQPQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.85

Polar Surface Area

39.382

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

6539-2712 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Structure:
  • Pool
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6539-2712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6539-2712?
Check Price and Availability of 6539-2712, 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 6539-2712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6539-2712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6539-2712
  • 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 6539-2712 available by request