K847-0663 Screening compound: N-(butan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K847-0663 Screening compound: N-(butan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K847-0663 Screening compound: N-(butan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K847-0663
N-(butan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

K847-0663

Molecular Formula

C20H28N4O3S (C20 H28 N4 O3 S)

Compound Name

N-(butan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(butan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCC(C)NC(c1c(C)c(C(N(CC(N2CCC(C)CC2)=O)C=N2)=O)c2s1)=O

InChI

InChI=1S/C20H28N4O3S/c1-5-13(3)22-18(26)17-14(4)16-19(28-17)21-11-24(20(16)27)10-15(25)23-8-6-12(2)7-9-23/h11-13H,5-10H2,1-4H3,(H,22,26)/t13-/m0/s1

InChI Key

OWJJBPZULPRACZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15110755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.586

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-2.16

Polar Surface Area

66.760

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

K847-0663 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K847-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K847-0663?
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What is the minimum amount of K847-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K847-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K847-0663
  • 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 K847-0663 available by request