C445-0081 Screening compound: 8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline

C445-0081 Screening compound: 8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
C445-0081 Screening compound: 8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0081
8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-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

C445-0081

Molecular Formula

C24H19N5O4S (C24 H19 N5 O4 S)

Compound Name

8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline

IUPAC name

89-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl-[124]triazolo[15-c]quinazoline

SMILES

COc(c(OC)c1)cc(c2nc(-c3ccccc3)nn22)c1nc2SCc1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C24H19N5O4S/c1-32-20-12-18-19(13-21(20)33-2)25-24(34-14-15-7-6-10-17(11-15)29(30)31)28-23(18)26-22(27-28)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3

InChI Key

VUWGMDKUYJTOPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.184

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-5.33

Polar Surface Area

78.439

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C445-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0081?
Check Price and Availability of C445-0081, 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 C445-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0081
  • 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 C445-0081 available by request