K813-0189 Screening compound: 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-dimethyl-1,2,3,4-tetrahydroquinolin-2-one

K813-0189 Screening compound: 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-dimethyl-1,2,3,4-tetrahydroquinolin-2-one
K813-0189 Screening compound: 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-dimethyl-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0189
4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-dimethyl-1,2,3,4-tetrahydroquinolin-2-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

K813-0189

Molecular Formula

C18H16BrNO3 (C18 H16 BrNO3)

Compound Name

4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6,7-dimethyl-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

4-(6-bromo-2H-13-benzodioxol-5-yl)-67-dimethyl-1234-tetrahydroquinolin-2-one

SMILES

Cc(c(C)c1)cc(C(C2)c(cc3OCOc3c3)c3Br)c1NC2=O

InChI

InChI=1S/C18H16BrNO3/c1-9-3-13-11(6-18(21)20-15(13)4-10(9)2)12-5-16-17(7-14(12)19)23-8-22-16/h3-5,7,11H,6,8H2,1-2H3,(H,20,21)/t11-/m0/s1

InChI Key

GWVJNZGVHIKFAD-NSHDSACASA-N

MDL Number (MFCD)

MFCD02188584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-4.19

Polar Surface Area

41.903

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

K813-0189 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others
  • Others

References: we are preparing a list of scientific research reports with K813-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0189?
Check Price and Availability of K813-0189, 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 K813-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0189
  • 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 K813-0189 available by request