C060-0096 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)acetamide

C060-0096 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)acetamide
C060-0096 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0096
2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)acetamide

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

C060-0096

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-(4-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)acetamide

IUPAC name

2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}-N-(4-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-4-oxobutyl)acetamide

SMILES

Cc1c(C)sc(N=CN2CC(NCCCC(N(CC3)CCC33OCCO3)=O)=O)c1C2=O

InChI

InChI=1S/C21H28N4O5S/c1-14-15(2)31-19-18(14)20(28)25(13-23-19)12-16(26)22-7-3-4-17(27)24-8-5-21(6-9-24)29-10-11-30-21/h13H,3-12H2,1-2H3,(H,22,26)

InChI Key

RVQYBVXFYYDYPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.018

Distribution Coefficient, logD

-0.018

Water Solubility, LogSw

-1.63

Polar Surface Area

81.384

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C060-0096 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)

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 C060-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0096?
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What is the minimum amount of C060-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0096
  • 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 C060-0096 available by request