K832-3451 Screening compound: 9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

K832-3451 Screening compound: 9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
K832-3451 Screening compound: 9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-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 K832-3451
9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-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

K832-3451

Molecular Formula

C21H23F3N4O3 (C21 H23 F3 N4 O3)

Compound Name

9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-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)-66-dimethyl-2-(trifluoromethyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CCOc(ccc(C1n2nc(C(F)(F)F)nc2NC(CC(C)(C)C2)=C1C2=O)c1)c1OC

InChI

InChI=1S/C21H23F3N4O3/c1-5-31-14-7-6-11(8-15(14)30-4)17-16-12(9-20(2,3)10-13(16)29)25-19-26-18(21(22,23)24)27-28(17)19/h6-8,17H,5,9-10H2,1-4H3,(H,25,26,27)/t17-/m0/s1

InChI Key

QUIKLCATXJUQAV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15110115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.43

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

3.847

Distribution Coefficient, logD

0.051

Water Solubility, LogSw

-4.12

Polar Surface Area

65.457

Acid Dissociation Constant (pKa)

3.60

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

K832-3451 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K832-3451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3451?
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What is the minimum amount of K832-3451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3451
  • 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 K832-3451 available by request