K280-0324 Screening compound: 3,5-dimethyl-1-[2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-pyrazole

K280-0324 Screening compound: 3,5-dimethyl-1-[2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-pyrazole
K280-0324 Screening compound: 3,5-dimethyl-1-[2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0324
3,5-dimethyl-1-[2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-pyrazole

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

K280-0324

Molecular Formula

C23H21N7O2S (C23 H21 N7 O2 S)

Compound Name

3,5-dimethyl-1-[2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-pyrazole

IUPAC name

35-dimethyl-1-[2-(5-{[(3-nitrophenyl)methyl]sulfanyl}-[124]triazolo[15-c]quinazolin-2-yl)ethyl]-1H-pyrazole

SMILES

Cc1cc(C)nn1CCc1nn2c(SCc3cc([N+]([O-])=O)ccc3)nc(cccc3)c3c2n1

InChI

InChI=1S/C23H21N7O2S/c1-15-12-16(2)28(26-15)11-10-21-25-22-19-8-3-4-9-20(19)24-23(29(22)27-21)33-14-17-6-5-7-18(13-17)30(31)32/h3-9,12-13H,10-11,14H2,1-2H3

InChI Key

PBCDGRMBSOTVNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.93

Polar Surface Area

78.154

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K280-0324 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K280-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0324?
Check Price and Availability of K280-0324, 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 K280-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0324
  • 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 K280-0324 available by request