C060-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanamide

C060-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanamide
C060-0078 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0078
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanamide

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

C060-0078

Molecular Formula

C24H30N4O5S (C24 H30 N4 O5 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-(2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamido)butanamide

SMILES

Cc1c(C)sc(N=CN2CC(NCCCC(NCCc(cc3)cc(OC)c3OC)=O)=O)c1C2=O

InChI

InChI=1S/C24H30N4O5S/c1-15-16(2)34-23-22(15)24(31)28(14-27-23)13-21(30)25-10-5-6-20(29)26-11-9-17-7-8-18(32-3)19(12-17)33-4/h7-8,12,14H,5-6,9-11,13H2,1-4H3,(H,25,30)(H,26,29)

InChI Key

PSSSSZGGYJJYIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.506

Distribution Coefficient, logD

0.506

Water Solubility, LogSw

-2.33

Polar Surface Area

90.128

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C060-0078 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C060-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0078?
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What is the minimum amount of C060-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0078
  • 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 C060-0078 available by request