4593-2959 Screening compound: 2-(3-methylphenyl)-4-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline

4593-2959 Screening compound: 2-(3-methylphenyl)-4-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline
4593-2959 Screening compound: 2-(3-methylphenyl)-4-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-2959
2-(3-methylphenyl)-4-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline

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

4593-2959

Molecular Formula

C25H29N3 (C25 H29 N3)

Compound Name

2-(3-methylphenyl)-4-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline

IUPAC name

2-(3-methylphenyl)-4-{133-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline

SMILES

CC(C1)(C2)CC(C)(C)CC1N2c1nc(-c2cc(C)ccc2)nc2ccccc12

InChI

InChI=1S/C25H29N3/c1-17-8-7-9-18(12-17)22-26-21-11-6-5-10-20(21)23(27-22)28-16-25(4)14-19(28)13-24(2,3)15-25/h5-12,19H,13-16H2,1-4H3

InChI Key

NQADYZGRIYSBSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08337606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.53

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.930

Distribution Coefficient, logD

6.162

Water Solubility, LogSw

-6.20

Polar Surface Area

21.324

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

4593-2959 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4593-2959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-2959?
Check Price and Availability of 4593-2959, 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 4593-2959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-2959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-2959
  • 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 4593-2959 available by request