C060-0104 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}acetamide

C060-0104 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}acetamide
C060-0104 Screening compound: 2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0104
2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-{4-[4-(4-methoxyphenyl)piperazin-1-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

C060-0104

Molecular Formula

C25H31N5O4S (C25 H31 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)sc(N=CN2CC(NCCCC(N(CC3)CCN3c(cc3)ccc3OC)=O)=O)c1C2=O

InChI

InChI=1S/C25H31N5O4S/c1-17-18(2)35-24-23(17)25(33)30(16-27-24)15-21(31)26-10-4-5-22(32)29-13-11-28(12-14-29)19-6-8-20(34-3)9-7-19/h6-9,16H,4-5,10-15H2,1-3H3,(H,26,31)

InChI Key

LJHUVJCBWSWTMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.659

Distribution Coefficient, logD

1.659

Water Solubility, LogSw

-2.43

Polar Surface Area

77.751

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C060-0104 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C060-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0104?
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What is the minimum amount of C060-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0104
  • 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 C060-0104 available by request