K284-0027 Screening compound: METHYL 3-(1,3-BENZODIOXOL-5-YLMETHYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDRO-7-QUINAZOLINECARBOXYLATE

K284-0027 Screening compound: METHYL 3-(1,3-BENZODIOXOL-5-YLMETHYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDRO-7-QUINAZOLINECARBOXYLATE
K284-0027 Screening compound: METHYL 3-(1,3-BENZODIOXOL-5-YLMETHYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDRO-7-QUINAZOLINECARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0027
METHYL 3-(1,3-BENZODIOXOL-5-YLMETHYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDRO-7-QUINAZOLINECARBOXYLATE

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

K284-0027

Molecular Formula

C18H14N2O5S (C18 H14 N2 O5 S)

Compound Name

METHYL 3-(1,3-BENZODIOXOL-5-YLMETHYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDRO-7-QUINAZOLINECARBOXYLATE

IUPAC name

n/a

SMILES

COC(c(cc1)cc(NC(N2Cc(cc3)cc4c3OCO4)=S)c1C2=O)=O

InChI

InChI=1S/C18H14N2O5S/c1-23-17(22)11-3-4-12-13(7-11)19-18(26)20(16(12)21)8-10-2-5-14-15(6-10)25-9-24-14/h2-7H,8-9H2,1H3,(H,19,26)

InChI Key

DOPPUDKQAQOHLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06136621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.78

Polar Surface Area

65.607

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-10.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

K284-0027 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K284-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0027?
Check Price and Availability of K284-0027, 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 K284-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0027
  • 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 K284-0027 available by request