C736-0630 Screening compound: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C736-0630 Screening compound: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
C736-0630 Screening compound: N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C736-0630
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[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

C736-0630

Molecular Formula

C25H31N7O2 (C25 H31 N7 O2)

Compound Name

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

IUPAC name

N-[2-(26-dimethylpiperidin-1-yl)ethyl]-89-dimethoxy-2-(pyridin-3-yl)-[124]triazolo[15-c]quinazolin-5-amine

SMILES

CC1N(CCNc(n2nc(-c3cnccc3)nc2c2c3)nc2cc(OC)c3OC)C(C)CCC1

InChI

InChI=1S/C25H31N7O2/c1-16-7-5-8-17(2)31(16)12-11-27-25-28-20-14-22(34-4)21(33-3)13-19(20)24-29-23(30-32(24)25)18-9-6-10-26-15-18/h6,9-10,13-17H,5,7-8,11-12H2,1-4H3,(H,27,28)

InChI Key

SNGIXAPKVCNPGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.034

Distribution Coefficient, logD

0.337

Water Solubility, LogSw

-3.05

Polar Surface Area

68.787

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

10.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

C736-0630 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C736-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C736-0630?
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What is the minimum amount of C736-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C736-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C736-0630
  • 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 C736-0630 available by request