K895-0016 Screening compound: N-cyclohexyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K895-0016 Screening compound: N-cyclohexyl-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K895-0016 Screening compound: N-cyclohexyl-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 K895-0016
N-cyclohexyl-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

K895-0016

Molecular Formula

C23H32N4O3S (C23 H32 N4 O3 S)

Compound Name

N-cyclohexyl-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-cyclohexyl-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(NC3CCCCC3)=O)s1)C2=O)=O

InChI

InChI=1S/C23H32N4O3S/c1-14-9-15(2)11-26(10-14)18(28)12-27-13-24-22-19(23(27)30)16(3)20(31-22)21(29)25-17-7-5-4-6-8-17/h13-15,17H,4-12H2,1-3H3,(H,25,29)

InChI Key

UFRRYGUWENRSHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.69

Polar Surface Area

66.639

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.20

K895-0016 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K895-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K895-0016?
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What is the minimum amount of K895-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K895-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K895-0016
  • 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 K895-0016 available by request