K280-0216 Screening compound: N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide

K280-0216 Screening compound: N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
K280-0216 Screening compound: N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0216
N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide

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

K280-0216

Molecular Formula

C25H20N6O4S (C25 H20 N6 O4 S)

Compound Name

N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide

IUPAC name

N-(4-ethoxyphenyl)-2-{[2-(3-nitrophenyl)-[124]triazolo[15-c]quinazolin-5-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1NC(CSc1nc(cccc2)c2c2nc(-c3cc([N+]([O-])=O)ccc3)nn12)=O

InChI

InChI=1S/C25H20N6O4S/c1-2-35-19-12-10-17(11-13-19)26-22(32)15-36-25-27-21-9-4-3-8-20(21)24-28-23(29-30(24)25)16-6-5-7-18(14-16)31(33)34/h3-14H,2,15H2,1H3,(H,26,32)

InChI Key

CWCCHLRNWYXNSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.449

Distribution Coefficient, logD

5.449

Water Solubility, LogSw

-5.66

Polar Surface Area

93.451

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K280-0216 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K280-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0216?
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What is the minimum amount of K280-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0216
  • 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 K280-0216 available by request