K284-2839 Screening compound: methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate

K284-2839 Screening compound: methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
K284-2839 Screening compound: methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-2839
methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate

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

K284-2839

Molecular Formula

C26H18ClFN4O3S (C26 H18 ClFN4 O3 S)

Compound Name

methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(N=C(N2Nc3c(ccc(Cl)c4)c4ncc3)SCc3cc(F)ccc3)c1C2=O)=O

InChI

InChI=1S/C26H18ClFN4O3S/c1-35-25(34)16-5-7-20-23(12-16)30-26(36-14-15-3-2-4-18(28)11-15)32(24(20)33)31-21-9-10-29-22-13-17(27)6-8-19(21)22/h2-13H,14H2,1H3,(H,29,31)

InChI Key

CWKZAFKTEYSFMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.439

Water Solubility, LogSw

-6.00

Polar Surface Area

67.232

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

K284-2839 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K284-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-2839?
Check Price and Availability of K284-2839, 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 K284-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-2839
  • 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 K284-2839 available by request