K832-3198 Screening compound: 6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

K832-3198 Screening compound: 6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
K832-3198 Screening compound: 6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-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 K832-3198
6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-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

K832-3198

Molecular Formula

C21H26N4O4S (C21 H26 N4 O4 S)

Compound Name

6,6-dimethyl-2-(methylsulfanyl)-9-(2,3,4-trimethoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

66-dimethyl-2-(methylsulfanyl)-9-(234-trimethoxyphenyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SC)nn2C2c(ccc(OC)c3OC)c3OC)=C2C1=O

InChI

InChI=1S/C21H26N4O4S/c1-21(2)9-12-15(13(26)10-21)16(25-19(22-12)23-20(24-25)30-6)11-7-8-14(27-3)18(29-5)17(11)28-4/h7-8,16H,9-10H2,1-6H3,(H,22,23,24)/t16-/m0/s1

InChI Key

VGMWRDROHNOZLY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05033217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-4.02

Polar Surface Area

72.403

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

K832-3198 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with K832-3198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3198?
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What is the minimum amount of K832-3198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3198
  • 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 K832-3198 available by request