6539-2706 Screening compound: N-(adamantan-2-yl)-2-(pyrrolidin-1-yl)quinazolin-4-amine

6539-2706 Screening compound: N-(adamantan-2-yl)-2-(pyrrolidin-1-yl)quinazolin-4-amine
6539-2706 Screening compound: N-(adamantan-2-yl)-2-(pyrrolidin-1-yl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6539-2706
N-(adamantan-2-yl)-2-(pyrrolidin-1-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

6539-2706

Molecular Formula

C22H28N4 (C22 H28 N4)

Compound Name

N-(adamantan-2-yl)-2-(pyrrolidin-1-yl)quinazolin-4-amine

IUPAC name

N-(adamantan-2-yl)-2-(pyrrolidin-1-yl)quinazolin-4-amine

SMILES

C(CC1)CN1c1nc2ccccc2c(NC2C3CC(C4)CC2CC4C3)n1

InChI

InChI=1S/C22H28N4/c1-2-6-19-18(5-1)21(25-22(23-19)26-7-3-4-8-26)24-20-16-10-14-9-15(12-16)13-17(20)11-14/h1-2,5-6,14-17,20H,3-4,7-13H2,(H,23,24,25)

InChI Key

ZEQOXUZGKJREFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04018790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.104

Distribution Coefficient, logD

5.873

Water Solubility, LogSw

-6.39

Polar Surface Area

32.491

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

6539-2706 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6539-2706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6539-2706?
Check Price and Availability of 6539-2706, 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 6539-2706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6539-2706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6539-2706
  • 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 6539-2706 available by request