K802-0448 Screening compound: 3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE

K802-0448 Screening compound: 3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE
K802-0448 Screening compound: 3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound K802-0448
3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-PHENYL-3H,4H-THIENO[2,3-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

K802-0448

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

3-[2-(AZEPAN-1-YL)-2-OXOETHYL]-5-PHENYL-3H,4H-THIENO[2,3-D]PYRIMIDIN-4-ONE

IUPAC name

n/a

SMILES

O=C(CN(C=Nc1c2c(-c3ccccc3)cs1)C2=O)N1CCCCCC1

InChI

InChI=1S/C20H21N3O2S/c24-17(22-10-6-1-2-7-11-22)12-23-14-21-19-18(20(23)25)16(13-26-19)15-8-4-3-5-9-15/h3-5,8-9,13-14H,1-2,6-7,10-12H2

InChI Key

KLZRSZJBAKRXPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06641257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.960

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.27

Polar Surface Area

42.693

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K802-0448 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 K802-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K802-0448?
Check Price and Availability of K802-0448, 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 K802-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K802-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K802-0448
  • 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 K802-0448 available by request