K895-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K895-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K895-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K895-0078
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-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

K895-0078

Molecular Formula

C27H34N4O5S (C27 H34 N4 O5 S)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-[2-(35-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CC(CC(C)C1)CN1C(CN(C=Nc1c2c(C)c(C(NCCc(cc3)cc(OC)c3OC)=O)s1)C2=O)=O

InChI

InChI=1S/C27H34N4O5S/c1-16-10-17(2)13-30(12-16)22(32)14-31-15-29-26-23(27(31)34)18(3)24(37-26)25(33)28-9-8-19-6-7-20(35-4)21(11-19)36-5/h6-7,11,15-17H,8-10,12-14H2,1-5H3,(H,28,33)

InChI Key

BBGSVFNWIYUTBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.315

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-3.01

Polar Surface Area

82.016

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

K895-0078 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K895-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K895-0078?
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What is the minimum amount of K895-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K895-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K895-0078
  • 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 K895-0078 available by request