E881-0049 Screening compound: 3-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

E881-0049 Screening compound: 3-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
E881-0049 Screening compound: 3-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0049
3-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-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

E881-0049

Molecular Formula

C18H17N5 (C18 H17 N5)

Compound Name

3-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

IUPAC name

3-methyl-N-[(4-methylphenyl)methyl]-[124]triazolo[43-c]quinazolin-5-amine

SMILES

Cc1nnc2n1c(NCc1ccc(C)cc1)nc1c2cccc1

InChI

InChI=1S/C18H17N5/c1-12-7-9-14(10-8-12)11-19-18-20-16-6-4-3-5-15(16)17-22-21-13(2)23(17)18/h3-10H,11H2,1-2H3,(H,19,20)

InChI Key

YMSLFYMOEYTKOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.880

Water Solubility, LogSw

-2.89

Polar Surface Area

43.190

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E881-0049 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with E881-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0049?
Check Price and Availability of E881-0049, 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 E881-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0049
  • 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 E881-0049 available by request