K280-0144 Screening compound: N-(3-methylbutyl)-2-{[2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide

K280-0144 Screening compound: N-(3-methylbutyl)-2-{[2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
K280-0144 Screening compound: N-(3-methylbutyl)-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 K280-0144
N-(3-methylbutyl)-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

K280-0144

Molecular Formula

C22H22N6O3S (C22 H22 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H22N6O3S/c1-14(2)11-12-23-19(29)13-32-22-24-18-6-4-3-5-17(18)21-25-20(26-27(21)22)15-7-9-16(10-8-15)28(30)31/h3-10,14H,11-13H2,1-2H3,(H,23,29)

InChI Key

WDEIZBSAMMGKRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.22

Polar Surface Area

87.763

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K280-0144 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 K280-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0144?
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What is the minimum amount of K280-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0144
  • 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 K280-0144 available by request