K280-0289 Screening compound: N,N-diethyl-2-{[2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide

K280-0289 Screening compound: N,N-diethyl-2-{[2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
K280-0289 Screening compound: N,N-diethyl-2-{[2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0289
N,N-diethyl-2-{[2-(4-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

K280-0289

Molecular Formula

C21H20N6O3S (C21 H20 N6 O3 S)

Compound Name

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

IUPAC name

NN-diethyl-2-{[2-(4-nitrophenyl)-[124]triazolo[15-c]quinazolin-5-yl]sulfanyl}acetamide

SMILES

CCN(CC)C(CSc1nc(cccc2)c2c2nc(-c(cc3)ccc3[N+]([O-])=O)nn12)=O

InChI

InChI=1S/C21H20N6O3S/c1-3-25(4-2)18(28)13-31-21-22-17-8-6-5-7-16(17)20-23-19(24-26(20)21)14-9-11-15(12-10-14)27(29)30/h5-12H,3-4,13H2,1-2H3

InChI Key

MOHIXEISDBZMDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.14

Polar Surface Area

78.855

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with K280-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0289?
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What is the minimum amount of K280-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0289
  • 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 K280-0289 available by request