C060-0021 Screening compound: N-(2,4-dimethoxyphenyl)-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanamide

C060-0021 Screening compound: N-(2,4-dimethoxyphenyl)-4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)butanamide
C060-0021 Screening compound: N-(2,4-dimethoxyphenyl)-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 C060-0021
N-(2,4-dimethoxyphenyl)-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

C060-0021

Molecular Formula

C22H26N4O5S (C22 H26 N4 O5 S)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-4-(2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamido)butanamide

SMILES

Cc1c(C)sc(N=CN2CC(NCCCC(Nc(ccc(OC)c3)c3OC)=O)=O)c1C2=O

InChI

InChI=1S/C22H26N4O5S/c1-13-14(2)32-21-20(13)22(29)26(12-24-21)11-19(28)23-9-5-6-18(27)25-16-8-7-15(30-3)10-17(16)31-4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,23,28)(H,25,27)

InChI Key

CAFRGLHSPAZKEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.259

Distribution Coefficient, logD

1.259

Water Solubility, LogSw

-2.44

Polar Surface Area

88.180

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C060-0021 in Drug Discovery

Included in Screening Libraries

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 C060-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0021?
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What is the minimum amount of C060-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0021
  • 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 C060-0021 available by request