K284-0629 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

K284-0629 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
K284-0629 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0629
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-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

K284-0629

Molecular Formula

C23H17FN2O3S (C23 H17 FN2 O3 S)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-2-{[(2-fluorophenyl)methyl]sulfanyl}-34-dihydroquinazolin-4-one

SMILES

O=C1N(Cc(cc2)cc3c2OCO3)C(SCc(cccc2)c2F)=Nc2c1cccc2

InChI

InChI=1S/C23H17FN2O3S/c24-18-7-3-1-5-16(18)13-30-23-25-19-8-4-2-6-17(19)22(27)26(23)12-15-9-10-20-21(11-15)29-14-28-20/h1-11H,12-14H2

InChI Key

CSIYJQPANOZPSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.84

Polar Surface Area

42.886

Acid Dissociation Constant (pKa)

31.27

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K284-0629 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K284-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0629?
Check Price and Availability of K284-0629, 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 K284-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0629
  • 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 K284-0629 available by request