K280-0351 Screening compound: 3,5-dimethyl-1-[2-(5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-pyrazole

K280-0351 Screening compound: 3,5-dimethyl-1-[2-(5-{[(4-nitrophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-pyrazole
K280-0351 Screening compound: 3,5-dimethyl-1-[2-(5-{[(4-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 K280-0351
3,5-dimethyl-1-[2-(5-{[(4-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

K280-0351

Molecular Formula

C23H21N7O2S (C23 H21 N7 O2 S)

Compound Name

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

IUPAC name

35-dimethyl-1-[2-(5-{[(4-nitrophenyl)methyl]sulfanyl}-[124]triazolo[15-c]quinazolin-2-yl)ethyl]-1H-pyrazole

SMILES

Cc1cc(C)nn1CCc1nn2c(SCc(cc3)ccc3[N+]([O-])=O)nc(cccc3)c3c2n1

InChI

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

InChI Key

PYXWYIZYDWXAGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030084

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

3.626

Distribution Coefficient, logD

3.413

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

K280-0351 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K280-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0351?
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What is the minimum amount of K280-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0351
  • 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 K280-0351 available by request