K263-0414 Screening compound: {[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl cyanide

K263-0414 Screening compound: {[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl cyanide
K263-0414 Screening compound: {[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0414
{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl cyanide

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

K263-0414

Molecular Formula

C22H19N3O3S2 (C22 H19 N3 O3 S2)

Compound Name

{[3-(3,4-dimethoxyphenethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl cyanide

IUPAC name

2-({5-[2-(34-dimethoxyphenyl)ethyl]-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)acetonitrile

SMILES

COc(ccc(CCN(C1=O)C(SCC#N)=Nc2c1sc1c2cccc1)c1)c1OC

InChI

InChI=1S/C22H19N3O3S2/c1-27-16-8-7-14(13-17(16)28-2)9-11-25-21(26)20-19(24-22(25)29-12-10-23)15-5-3-4-6-18(15)30-20/h3-8,13H,9,11-12H2,1-2H3

InChI Key

CDRGZAZFOZKDNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-4.05

Polar Surface Area

57.268

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

K263-0414 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K263-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0414?
Check Price and Availability of K263-0414, 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 K263-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0414
  • 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 K263-0414 available by request