K287-0078 Screening compound: 6,7-dimethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

K287-0078 Screening compound: 6,7-dimethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
K287-0078 Screening compound: 6,7-dimethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K287-0078
6,7-dimethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-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

K287-0078

Molecular Formula

C13H16N2O4S (C13 H16 N2 O4 S)

Compound Name

6,7-dimethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

67-dimethoxy-3-(2-methoxyethyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

COCCN(C(c(cc(c(OC)c1)OC)c1N1)=O)C1=S

InChI

InChI=1S/C13H16N2O4S/c1-17-5-4-15-12(16)8-6-10(18-2)11(19-3)7-9(8)14-13(15)20/h6-7H,4-5H2,1-3H3,(H,14,20)

InChI Key

CLNOWLYWKAIKMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06005796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.258

Distribution Coefficient, logD

1.237

Water Solubility, LogSw

-2.51

Polar Surface Area

51.171

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

-6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K287-0078 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K287-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K287-0078?
Check Price and Availability of K287-0078, 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 K287-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K287-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K287-0078
  • 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 K287-0078 available by request