K889-1587 Screening compound: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

K889-1587 Screening compound: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
K889-1587 Screening compound: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K889-1587
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

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

K889-1587

Molecular Formula

C24H28N4O3S (C24 H28 N4 O3 S)

Compound Name

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

Cc1c(C)sc(N=CN2CC(NCC(N3CCC(Cc4ccccc4)CC3)=O)=O)c1C2=O

InChI

InChI=1S/C24H28N4O3S/c1-16-17(2)32-23-22(16)24(31)28(15-26-23)14-20(29)25-13-21(30)27-10-8-19(9-11-27)12-18-6-4-3-5-7-18/h3-7,15,19H,8-14H2,1-2H3,(H,25,29)

InChI Key

OSJOMSHMZZSOLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.30

Polar Surface Area

66.834

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K889-1587 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 K889-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K889-1587?
Check Price and Availability of K889-1587, 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 K889-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K889-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K889-1587
  • 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 K889-1587 available by request