C445-0084 Screening compound: 5-{[(2-fluorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline

C445-0084 Screening compound: 5-{[(2-fluorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
C445-0084 Screening compound: 5-{[(2-fluorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0084
5-{[(2-fluorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline

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

C445-0084

Molecular Formula

C24H19FN4O2S (C24 H19 FN4 O2 S)

Compound Name

5-{[(2-fluorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline

IUPAC name

5-{[(2-fluorophenyl)methyl]sulfanyl}-89-dimethoxy-2-phenyl-[124]triazolo[15-c]quinazoline

SMILES

COc(c(OC)c1)cc(c2nc(-c3ccccc3)nn22)c1nc2SCc(cccc1)c1F

InChI

InChI=1S/C24H19FN4O2S/c1-30-20-12-17-19(13-21(20)31-2)26-24(32-14-16-10-6-7-11-18(16)25)29-23(17)27-22(28-29)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3

InChI Key

KZUKKNGVYBGGGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.608

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-5.74

Polar Surface Area

45.058

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C445-0084 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C445-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0084?
Check Price and Availability of C445-0084, 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 C445-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0084
  • 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 C445-0084 available by request