C301-5318 Screening compound: 3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C301-5318 Screening compound: 3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
C301-5318 Screening compound: 3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5318
3-ethyl-N-[(4-fluorophenyl)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

C301-5318

Molecular Formula

C18H16FN5 (C18 H16 FN5)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc2n1c(NCc(cc1)ccc1F)nc1c2cccc1

InChI

InChI=1S/C18H16FN5/c1-2-16-22-23-17-14-5-3-4-6-15(14)21-18(24(16)17)20-11-12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H,20,21)

InChI Key

VWQXHZMUJZUVGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.01

Polar Surface Area

43.390

Acid Dissociation Constant (pKa)

16.01

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C301-5318 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-5318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5318?
Check Price and Availability of C301-5318, 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 C301-5318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5318
  • 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 C301-5318 available by request