K895-0101 Screening compound: ethyl 2-{3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate

K895-0101 Screening compound: ethyl 2-{3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate
K895-0101 Screening compound: ethyl 2-{3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K895-0101
ethyl 2-{3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate

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

K895-0101

Molecular Formula

C26H30N4O5S (C26 H30 N4 O5 S)

Compound Name

ethyl 2-{3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-amido}benzoate

IUPAC name

ethyl 2-{3-[2-(35-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-amido}benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)c(C(N(CC(N2CC(C)CC(C)C2)=O)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C26H30N4O5S/c1-5-35-26(34)18-8-6-7-9-19(18)28-23(32)22-17(4)21-24(36-22)27-14-30(25(21)33)13-20(31)29-11-15(2)10-16(3)12-29/h6-9,14-16H,5,10-13H2,1-4H3,(H,28,32)

InChI Key

QIEBXTCGEYKHNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-3.80

Polar Surface Area

85.648

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.30

K895-0101 in Drug Discovery

Included in Screening Libraries

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 K895-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K895-0101?
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What is the minimum amount of K895-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K895-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K895-0101
  • 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 K895-0101 available by request