F795-0101 Screening compound: 1-(2-oxo-2-piperidinoethyl)-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

F795-0101 Screening compound: 1-(2-oxo-2-piperidinoethyl)-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
F795-0101 Screening compound: 1-(2-oxo-2-piperidinoethyl)-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F795-0101
1-(2-oxo-2-piperidinoethyl)-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

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

F795-0101

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

1-(2-oxo-2-piperidinoethyl)-3-phenethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

IUPAC name

3-[2-oxo-2-(piperidin-1-yl)ethyl]-5-(2-phenylethyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene-46-dione

SMILES

O=C(CN(c1c(C(N2CCc3ccccc3)=O)sc3ncccc13)C2=O)N1CCCCC1

InChI

InChI=1S/C24H24N4O3S/c29-19(26-13-5-2-6-14-26)16-28-20-18-10-7-12-25-22(18)32-21(20)23(30)27(24(28)31)15-11-17-8-3-1-4-9-17/h1,3-4,7-10,12H,2,5-6,11,13-16H2

InChI Key

XKUNPBLEHXRHLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27190863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.53

Polar Surface Area

58.947

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F795-0101 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F795-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F795-0101?
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What is the minimum amount of F795-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F795-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F795-0101
  • 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 F795-0101 available by request