K284-0132 Screening compound: methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate

K284-0132 Screening compound: methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
K284-0132 Screening compound: methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0132
methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)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

K284-0132

Molecular Formula

C22H20ClFN2O4S (C22 H20 ClFN2 O4 S)

Compound Name

methyl 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 3-(3-chloro-4-fluorophenyl)-2-[(33-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-34-dihydroquinazoline-7-carboxylate

SMILES

CC(C)(C)C(CSC(N1c(cc2)cc(Cl)c2F)=Nc(cc(cc2)C(OC)=O)c2C1=O)=O

InChI

InChI=1S/C22H20ClFN2O4S/c1-22(2,3)18(27)11-31-21-25-17-9-12(20(29)30-4)5-7-14(17)19(28)26(21)13-6-8-16(24)15(23)10-13/h5-10H,11H2,1-4H3

InChI Key

ZUNKUFMTNKXSRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.75

Polar Surface Area

59.852

Acid Dissociation Constant (pKa)

27.99

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

K284-0132 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K284-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0132?
Check Price and Availability of K284-0132, 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 K284-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0132
  • 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 K284-0132 available by request