C736-0566 Screening compound: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0566 Screening compound: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0566 Screening compound: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0566
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-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

C736-0566

Molecular Formula

C26H32N6O2 (C26 H32 N6 O2)

Compound Name

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

N-[2-(26-dimethylpiperidin-1-yl)ethyl]-89-dimethoxy-2-phenyl-[124]triazolo[15-c]quinazolin-5-amine

SMILES

CC1N(CCNc(n2nc(-c3ccccc3)nc2c2c3)nc2cc(OC)c3OC)C(C)CCC1

InChI

InChI=1S/C26H32N6O2/c1-17-9-8-10-18(2)31(17)14-13-27-26-28-21-16-23(34-4)22(33-3)15-20(21)25-29-24(30-32(25)26)19-11-6-5-7-12-19/h5-7,11-12,15-18H,8-10,13-14H2,1-4H3,(H,27,28)

InChI Key

PDDZQPJVCNPCGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

1.712

Water Solubility, LogSw

-4.27

Polar Surface Area

59.269

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

C736-0566 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C736-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0566?
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What is the minimum amount of C736-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0566
  • 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 C736-0566 available by request