K280-0137 Screening compound: 2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazoline

K280-0137 Screening compound: 2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazoline
K280-0137 Screening compound: 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 K280-0137
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

K280-0137

Molecular Formula

C22H14N6O4S (C22 H14 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(CSc2nc(cccc3)c3c3nc(-c(cc4)ccc4[N+]([O-])=O)nn23)cc1)=O

InChI

InChI=1S/C22H14N6O4S/c29-27(30)16-9-5-14(6-10-16)13-33-22-23-19-4-2-1-3-18(19)21-24-20(25-26(21)22)15-7-11-17(12-8-15)28(31)32/h1-12H,13H2

InChI Key

UBJQJMOEWKFFNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.299

Water Solubility, LogSw

-5.99

Polar Surface Area

96.560

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with K280-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0137?
Check Price and Availability of K280-0137, 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 K280-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0137
  • 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 K280-0137 available by request