K844-0521 Screening compound: N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide

K844-0521 Screening compound: N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
K844-0521 Screening compound: N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-0521
N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-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

K844-0521

Molecular Formula

C23H26N2O3 (C23 H26 N2 O3)

Compound Name

N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide

IUPAC name

N-(23-dimethylphenyl)-4-hydroxy-1-(3-methylbutyl)-2-oxo-12-dihydroquinoline-3-carboxamide

SMILES

CC(C)CCN(c(cccc1)c1C(O)=C1C(Nc2c(C)c(C)ccc2)=O)C1=O

InChI

InChI=1S/C23H26N2O3/c1-14(2)12-13-25-19-11-6-5-9-17(19)21(26)20(23(25)28)22(27)24-18-10-7-8-15(3)16(18)4/h5-11,14,26H,12-13H2,1-4H3,(H,24,27)

InChI Key

SXSJGPAIFJKFAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02162435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

0.588

Water Solubility, LogSw

-4.08

Polar Surface Area

53.056

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

K844-0521 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K844-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-0521?
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What is the minimum amount of K844-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-0521
  • 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 K844-0521 available by request