K263-0138 Screening compound: 3-{3-[4-(4-methoxyphenyl)piperazino]propyl}-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one

K263-0138 Screening compound: 3-{3-[4-(4-methoxyphenyl)piperazino]propyl}-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
K263-0138 Screening compound: 3-{3-[4-(4-methoxyphenyl)piperazino]propyl}-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0138
3-{3-[4-(4-methoxyphenyl)piperazino]propyl}-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-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

K263-0138

Molecular Formula

C24H26N4O2S2 (C24 H26 N4 O2 S2)

Compound Name

3-{3-[4-(4-methoxyphenyl)piperazino]propyl}-2-thioxo-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one

IUPAC name

5-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-sulfanylidene-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-6-one

SMILES

COc(cc1)ccc1N1CCN(CCCN(C(c(sc2c3cccc2)c3N2)=O)C2=S)CC1

InChI

InChI=1S/C24H26N4O2S2/c1-30-18-9-7-17(8-10-18)27-15-13-26(14-16-27)11-4-12-28-23(29)22-21(25-24(28)31)19-5-2-3-6-20(19)32-22/h2-3,5-10H,4,11-16H2,1H3,(H,25,31)

InChI Key

FIJHBQMWKNFXJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085380

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

466.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

3.572

Water Solubility, LogSw

-4.07

Polar Surface Area

40.578

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K263-0138 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K263-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0138?
Check Price and Availability of K263-0138, 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 K263-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0138
  • 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 K263-0138 available by request