K263-0731 Screening compound: 3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenyl-5-hexenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0731 Screening compound: 3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenyl-5-hexenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0731 Screening compound: 3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenyl-5-hexenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0731
3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenyl-5-hexenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-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

K263-0731

Molecular Formula

C29H32N2O4S2 (C29 H32 N2 O4 S2)

Compound Name

3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenyl-5-hexenyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-(33-diethoxypropyl)-4-[(2-oxo-3-phenylhex-5-en-1-yl)sulfanyl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CCOC(CCN(C1=O)C(SCC(C(CC=C)c2ccccc2)=O)=Nc2c1sc1c2cccc1)OCC

InChI

InChI=1S/C29H32N2O4S2/c1-4-12-21(20-13-8-7-9-14-20)23(32)19-36-29-30-26-22-15-10-11-16-24(22)37-27(26)28(33)31(29)18-17-25(34-5-2)35-6-3/h4,7-11,13-16,21,25H,1,5-6,12,17-19H2,2-3H3/t21-/m1/s1

InChI Key

PUEYPILZMVVYRT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15085636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.814

Distribution Coefficient, logD

5.814

Water Solubility, LogSw

-5.74

Polar Surface Area

52.417

Acid Dissociation Constant (pKa)

15.83

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

K263-0731 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K263-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0731?
Check Price and Availability of K263-0731, 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 K263-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0731
  • 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 K263-0731 available by request