K832-3189 Screening compound: 9-(3-bromo-4-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

K832-3189 Screening compound: 9-(3-bromo-4-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
K832-3189 Screening compound: 9-(3-bromo-4-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-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 K832-3189
9-(3-bromo-4-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-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

K832-3189

Molecular Formula

C19H21BrN4O2S (C19 H21 BrN4 O2 S)

Compound Name

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

IUPAC name

9-(3-bromo-4-methoxyphenyl)-66-dimethyl-2-(methylsulfanyl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SC)nn2C2c(cc3)cc(Br)c3OC)=C2C1=O

InChI

InChI=1S/C19H21BrN4O2S/c1-19(2)8-12-15(13(25)9-19)16(10-5-6-14(26-3)11(20)7-10)24-17(21-12)22-18(23-24)27-4/h5-7,16H,8-9H2,1-4H3,(H,21,22,23)/t16-/m0/s1

InChI Key

OKVRFWDMXUZROM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05033215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

3.935

Water Solubility, LogSw

-4.45

Polar Surface Area

56.969

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

K832-3189 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K832-3189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3189?
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What is the minimum amount of K832-3189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3189
  • 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 K832-3189 available by request