K832-3199 Screening compound: 12-[4-(methylsulfanyl)phenyl]-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

K832-3199 Screening compound: 12-[4-(methylsulfanyl)phenyl]-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one
K832-3199 Screening compound: 12-[4-(methylsulfanyl)phenyl]-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3199
12-[4-(methylsulfanyl)phenyl]-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-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

K832-3199

Molecular Formula

C21H19N3OS (C21 H19 N3 OS)

Compound Name

12-[4-(methylsulfanyl)phenyl]-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

IUPAC name

9-[4-(methylsulfanyl)phenyl]-21017-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)3(8)11(16)1214-pentaen-7-one

SMILES

CSc1ccc(C(C(C(CCC2)=O)=C2N2)n3c2nc2c3cccc2)cc1

InChI

InChI=1S/C21H19N3OS/c1-26-14-11-9-13(10-12-14)20-19-16(6-4-8-18(19)25)23-21-22-15-5-2-3-7-17(15)24(20)21/h2-3,5,7,9-12,20H,4,6,8H2,1H3,(H,22,23)/t20-/m0/s1

InChI Key

ALKKTDYAZBOLDO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06624466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.706

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.42

Polar Surface Area

37.601

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

K832-3199 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K832-3199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3199?
Check Price and Availability of K832-3199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K832-3199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3199
  • 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 K832-3199 available by request