C280-0610 Screening compound: 2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

C280-0610 Screening compound: 2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
C280-0610 Screening compound: 2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C280-0610
2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]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

C280-0610

Molecular Formula

C20H23N3O4S2 (C20 H23 N3 O4 S2)

Compound Name

2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{[3-(4-methoxyphenyl)-4-oxo-3H4H6H7H-thieno[32-d]pyrimidin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

COc(cc1)ccc1N(C1=O)C(SCC(NCC2OCCC2)=O)=NC2=C1SCC2

InChI

InChI=1S/C20H23N3O4S2/c1-26-14-6-4-13(5-7-14)23-19(25)18-16(8-10-28-18)22-20(23)29-12-17(24)21-11-15-3-2-9-27-15/h4-7,15H,2-3,8-12H2,1H3,(H,21,24)/t15-/m1/s1

InChI Key

SIGMUHNPSBJXJV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04457798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.158

Distribution Coefficient, logD

1.158

Water Solubility, LogSw

-2.15

Polar Surface Area

66.166

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C280-0610 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C280-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C280-0610?
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What is the minimum amount of C280-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C280-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C280-0610
  • 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 C280-0610 available by request