C096-0505 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

C096-0505 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
C096-0505 Screening compound: 6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0505
6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

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

C096-0505

Molecular Formula

C24H30N6O4S2 (C24 H30 N6 O4 S2)

Compound Name

6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

CC(CC1)CCN1S(c1c(C)sc(N=CN2CC(N(CC3)CCN3c3ncccc3)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C24H30N6O4S2/c1-17-6-9-30(10-7-17)36(33,34)22-18(2)35-23-21(22)24(32)29(16-26-23)15-20(31)28-13-11-27(12-14-28)19-5-3-4-8-25-19/h3-5,8,16-17H,6-7,9-15H2,1-2H3

InChI Key

YRBRHTTZVGUDSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-2.35

Polar Surface Area

86.116

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C096-0505 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C096-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0505?
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What is the minimum amount of C096-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0505
  • 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 C096-0505 available by request