K292-0742 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one

K292-0742 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one
K292-0742 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-0742
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-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

K292-0742

Molecular Formula

C25H22N4O4S2 (C25 H22 N4 O4 S2)

Compound Name

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-2-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

COc(ccc(CCN(C1=O)C(SCC(N=C2N3C=CC=C2)=CC3=O)=Nc2c1scc2)c1)c1OC

InChI

InChI=1S/C25H22N4O4S2/c1-32-19-7-6-16(13-20(19)33-2)8-11-29-24(31)23-18(9-12-34-23)27-25(29)35-15-17-14-22(30)28-10-4-3-5-21(28)26-17/h3-7,9-10,12-14H,8,11,15H2,1-2H3

InChI Key

NVFSCSUTGKDNPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03018823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.099

Distribution Coefficient, logD

3.099

Water Solubility, LogSw

-3.41

Polar Surface Area

68.015

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K292-0742 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K292-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-0742?
Check Price and Availability of K292-0742, 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 K292-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-0742
  • 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 K292-0742 available by request