K844-0634 Screening compound: ethyl 2-{2-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-amido]-1,3-thiazol-4-yl}acetate

K844-0634 Screening compound: ethyl 2-{2-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-amido]-1,3-thiazol-4-yl}acetate
K844-0634 Screening compound: ethyl 2-{2-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-amido]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K844-0634
ethyl 2-{2-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-amido]-1,3-thiazol-4-yl}acetate

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

K844-0634

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

ethyl 2-{2-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-amido]-1,3-thiazol-4-yl}acetate

IUPAC name

ethyl 2-{2-[4-hydroxy-1-(3-methylbutyl)-2-oxo-12-dihydroquinoline-3-amido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(C(C(N(CCC(C)C)c2c3cccc2)=O)=C3O)=O)n1)=O

InChI

InChI=1S/C22H25N3O5S/c1-4-30-17(26)11-14-12-31-22(23-14)24-20(28)18-19(27)15-7-5-6-8-16(15)25(21(18)29)10-9-13(2)3/h5-8,12-13,27H,4,9-11H2,1-3H3,(H,23,24,28)

InChI Key

HQNKIRAWOBNMQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

0.952

Water Solubility, LogSw

-3.76

Polar Surface Area

84.454

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K844-0634 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K844-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K844-0634?
Check Price and Availability of K844-0634, 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 K844-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K844-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K844-0634
  • 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 K844-0634 available by request