K033-0112 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide

K033-0112 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
K033-0112 Screening compound: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K033-0112
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-hydroxy-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

K033-0112

Molecular Formula

C19H12BrN3O3S (C19 H12 BrN3 O3 S)

Compound Name

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide

IUPAC name

N-[4-(4-bromophenyl)-13-thiazol-2-yl]-4-hydroxy-2-oxo-12-dihydroquinoline-3-carboxamide

SMILES

OC(c(cccc1)c1N1)=C(C(Nc2nc(-c(cc3)ccc3Br)cs2)=O)C1=O

InChI

InChI=1S/C19H12BrN3O3S/c20-11-7-5-10(6-8-11)14-9-27-19(22-14)23-18(26)15-16(24)12-3-1-2-4-13(12)21-17(15)25/h1-9H,(H2,21,24,25)(H,22,23,26)

InChI Key

BSGKPIIOOXXAOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00572711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

1.450

Water Solubility, LogSw

-4.36

Polar Surface Area

73.053

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

K033-0112 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K033-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K033-0112?
Check Price and Availability of K033-0112, 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 K033-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K033-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K033-0112
  • 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 K033-0112 available by request