C241-1453 Screening compound: 4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(furan-2-yl)methyl]butanamide

C241-1453 Screening compound: 4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(furan-2-yl)methyl]butanamide
C241-1453 Screening compound: 4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(furan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1453
4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(furan-2-yl)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

C241-1453

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

4-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[(furan-2-yl)methyl]butanamide

IUPAC name

4-{24-dioxo-1-[(246-trimethylphenyl)methyl]-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-[(furan-2-yl)methyl]butanamide

SMILES

Cc1cc(C)c(CN(c2c(C(N3CCCC(NCc4ccco4)=O)=O)scc2)C3=O)c(C)c1

InChI

InChI=1S/C25H27N3O4S/c1-16-12-17(2)20(18(3)13-16)15-28-21-8-11-33-23(21)24(30)27(25(28)31)9-4-7-22(29)26-14-19-6-5-10-32-19/h5-6,8,10-13H,4,7,9,14-15H2,1-3H3,(H,26,29)

InChI Key

LTFAEMMVJMLDFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.40

Polar Surface Area

64.484

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C241-1453 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C241-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1453?
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What is the minimum amount of C241-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1453
  • 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 C241-1453 available by request