K832-3490 Screening compound: 9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

K832-3490 Screening compound: 9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
K832-3490 Screening compound: 9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3490
9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

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

K832-3490

Molecular Formula

C19H19F3N4O3 (C19 H19 F3 N4 O3)

Compound Name

9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(4-ethoxy-3-methoxyphenyl)-2-(trifluoromethyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCOc(ccc(C1n2nc(C(F)(F)F)nc2NC(CCC2)=C1C2=O)c1)c1OC

InChI

InChI=1S/C19H19F3N4O3/c1-3-29-13-8-7-10(9-14(13)28-2)16-15-11(5-4-6-12(15)27)23-18-24-17(19(20,21)22)25-26(16)18/h7-9,16H,3-6H2,1-2H3,(H,23,24,25)/t16-/m0/s1

InChI Key

DGPUBDXPSOYZDD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15110122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

-0.163

Water Solubility, LogSw

-3.52

Polar Surface Area

65.457

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

K832-3490 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K832-3490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3490?
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What is the minimum amount of K832-3490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3490
  • 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 K832-3490 available by request