C445-0155 Screening compound: 8,9-dimethoxy-2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazoline

C445-0155 Screening compound: 8,9-dimethoxy-2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazoline
C445-0155 Screening compound: 8,9-dimethoxy-2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0155
8,9-dimethoxy-2-(4-nitrophenyl)-5-{[(4-nitrophenyl)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

C445-0155

Molecular Formula

C24H18N6O6S (C24 H18 N6 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(c(OC)c1)cc(c2nc(-c(cc3)ccc3[N+]([O-])=O)nn22)c1nc2SCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C24H18N6O6S/c1-35-20-11-18-19(12-21(20)36-2)25-24(37-13-14-3-7-16(8-4-14)29(31)32)28-23(18)26-22(27-28)15-5-9-17(10-6-15)30(33)34/h3-12H,13H2,1-2H3

InChI Key

NBVIDZLIHZLDGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.51

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.88

Polar Surface Area

111.821

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 C445-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0155?
Check Price and Availability of C445-0155, 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 C445-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0155
  • 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 C445-0155 available by request