K844-0729 Screening compound: N~6~-[4-(1-adamantyl)-1,3-thiazol-2-yl]-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide

K844-0729 Screening compound: N~6~-[4-(1-adamantyl)-1,3-thiazol-2-yl]-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
K844-0729 Screening compound: N~6~-[4-(1-adamantyl)-1,3-thiazol-2-yl]-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-0729
N~6~-[4-(1-adamantyl)-1,3-thiazol-2-yl]-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide

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

K844-0729

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

N~6~-[4-(1-adamantyl)-1,3-thiazol-2-yl]-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide

IUPAC name

N-[4-(adamantan-1-yl)-13-thiazol-2-yl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.0^{513}]trideca-3579(13)-tetraene-3-carboxamide

SMILES

OC(c1c2N3CCCc2ccc1)=C(C(Nc1nc(C2(CC(C4)C5)CC5CC4C2)cs1)=O)C3=O

InChI

InChI=1S/C26H27N3O3S/c30-22-18-5-1-3-17-4-2-6-29(21(17)18)24(32)20(22)23(31)28-25-27-19(13-33-25)26-10-14-7-15(11-26)9-16(8-14)12-26/h1,3,5,13-16,30H,2,4,6-12H2,(H,27,28,31)

InChI Key

ZEQNJNGSPYVWSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02984053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-5.17

Polar Surface Area

65.168

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K844-0729 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Anti-HIV1 Library (19540 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K844-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-0729?
Check Price and Availability of K844-0729, 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 K844-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-0729
  • 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 K844-0729 available by request