C301-8836 Screening compound: 2-(4-methylphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-ol

C301-8836 Screening compound: 2-(4-methylphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-ol
C301-8836 Screening compound: 2-(4-methylphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8836
2-(4-methylphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-ol

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

C301-8836

Molecular Formula

C16H16N4O (C16 H16 N4 O)

Compound Name

2-(4-methylphenyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-ol

IUPAC name

2-(4-methylphenyl)-5H6H7H8H-[124]triazolo[32-b]quinazolin-9-ol

SMILES

Cc(cc1)ccc1-c1nn2c(O)c(CCCC3)c3nc2n1

InChI

InChI=1S/C16H16N4O/c1-10-6-8-11(9-7-10)14-18-16-17-13-5-3-2-4-12(13)15(21)20(16)19-14/h6-9,21H,2-5H2,1H3

InChI Key

MGFNAKOYCAHTBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.357

Distribution Coefficient, logD

0.947

Water Solubility, LogSw

-3.07

Polar Surface Area

50.577

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C301-8836 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C301-8836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8836?
Check Price and Availability of C301-8836, 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 C301-8836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8836
  • 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 C301-8836 available by request