C445-0322 Screening compound: 8,9-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline

C445-0322 Screening compound: 8,9-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline
C445-0322 Screening compound: 8,9-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0322
8,9-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[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

C445-0322

Molecular Formula

C25H18F3N5O4S (C25 H18 F3 N5 O4 S)

Compound Name

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

IUPAC name

89-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-[124]triazolo[15-c]quinazoline

SMILES

COc(c(OC)c1)cc(c2nc(-c(cc3)ccc3[N+]([O-])=O)nn22)c1nc2SCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H18F3N5O4S/c1-36-20-11-18-19(12-21(20)37-2)29-24(38-13-14-4-3-5-16(10-14)25(26,27)28)32-23(18)30-22(31-32)15-6-8-17(9-7-15)33(34)35/h3-12H,13H2,1-2H3

InChI Key

GGZCVRFMPSOXMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.109

Distribution Coefficient, logD

6.092

Water Solubility, LogSw

-5.92

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

16.00

C445-0322 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C445-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0322?
Check Price and Availability of C445-0322, 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 C445-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0322
  • 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 C445-0322 available by request