C060-0052 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[(2-methoxyphenyl)methyl]butanamide

C060-0052 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[(2-methoxyphenyl)methyl]butanamide
C060-0052 Screening compound: 4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[(2-methoxyphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C060-0052
4-(2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)-N-[(2-methoxyphenyl)methyl]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

C060-0052

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C)sc(N=CN2CC(NCCCC(NCc(cccc3)c3OC)=O)=O)c1C2=O

InChI

InChI=1S/C22H26N4O4S/c1-14-15(2)31-21-20(14)22(29)26(13-25-21)12-19(28)23-10-6-9-18(27)24-11-16-7-4-5-8-17(16)30-3/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,23,28)(H,24,27)

InChI Key

XCJHCVMBXVAZRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.436

Distribution Coefficient, logD

1.436

Water Solubility, LogSw

-2.32

Polar Surface Area

82.656

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C060-0052 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 C060-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C060-0052?
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What is the minimum amount of C060-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C060-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C060-0052
  • 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 C060-0052 available by request