K284-5079 Screening compound: 6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

K284-5079 Screening compound: 6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one
K284-5079 Screening compound: 6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5079
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

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

K284-5079

Molecular Formula

C24H22ClFN2O3S (C24 H22 ClFN2 O3 S)

Compound Name

6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-8-one

IUPAC name

6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H7H8H-[13]dioxolo[45-g]quinazolin-8-one

SMILES

O=C1N(CCC2=CCCCC2)C(SCc(c(F)ccc2)c2Cl)=Nc2c1cc1OCOc1c2

InChI

InChI=1S/C24H22ClFN2O3S/c25-18-7-4-8-19(26)17(18)13-32-24-27-20-12-22-21(30-14-31-22)11-16(20)23(29)28(24)10-9-15-5-2-1-3-6-15/h4-5,7-8,11-12H,1-3,6,9-10,13-14H2

InChI Key

MLNHPDUUHKYHGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.439

Distribution Coefficient, logD

6.439

Water Solubility, LogSw

-6.41

Polar Surface Area

43.057

Acid Dissociation Constant (pKa)

27.84

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K284-5079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5079?
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What is the minimum amount of K284-5079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5079
  • 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 K284-5079 available by request