C060-0056 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide

C060-0056 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide
C060-0056 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0056
2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]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

C060-0056

Molecular Formula

C24H29N5O3S (C24 H29 N5 O3 S)

Compound Name

2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide

IUPAC name

2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide

SMILES

Cc1c(C)sc(N=CN2CC(NCCCC(N(CC3)CCN3c3ccccc3)=O)=O)c1C2=O

InChI

InChI=1S/C24H29N5O3S/c1-17-18(2)33-23-22(17)24(32)29(16-26-23)15-20(30)25-10-6-9-21(31)28-13-11-27(12-14-28)19-7-4-3-5-8-19/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,25,30)

InChI Key

XUQCHZXUUTUBCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-2.40

Polar Surface Area

70.207

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C060-0056 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C060-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0056?
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What is the minimum amount of C060-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0056
  • 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 C060-0056 available by request