K284-0612 Screening compound: ethyl 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate

K284-0612 Screening compound: ethyl 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate
K284-0612 Screening compound: ethyl 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0612
ethyl 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate

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

K284-0612

Molecular Formula

C20H18N2O5S (C20 H18 N2 O5 S)

Compound Name

ethyl 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({3-[(2H-13-benzodioxol-5-yl)methyl]-4-oxo-34-dihydroquinazolin-2-yl}sulfanyl)acetate

SMILES

CCOC(CSC(N1Cc(cc2)cc3c2OCO3)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C20H18N2O5S/c1-2-25-18(23)11-28-20-21-15-6-4-3-5-14(15)19(24)22(20)10-13-7-8-16-17(9-13)27-12-26-16/h3-9H,2,10-12H2,1H3

InChI Key

JSXJCWRZRQQTER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.248

Distribution Coefficient, logD

3.248

Water Solubility, LogSw

-3.67

Polar Surface Area

63.317

Acid Dissociation Constant (pKa)

29.82

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K284-0612 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K284-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0612?
Check Price and Availability of K284-0612, 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 K284-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0612
  • 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 K284-0612 available by request