C241-1931 Screening compound: 2-(3-{4-[(benzylcarbamoyl)methyl]phenyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide

C241-1931 Screening compound: 2-(3-{4-[(benzylcarbamoyl)methyl]phenyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide
C241-1931 Screening compound: 2-(3-{4-[(benzylcarbamoyl)methyl]phenyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1931
2-(3-{4-[(benzylcarbamoyl)methyl]phenyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide

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

C241-1931

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

2-(3-{4-[(benzylcarbamoyl)methyl]phenyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl)-N,N-diethylacetamide

IUPAC name

2-(3-{4-[(benzylcarbamoyl)methyl]phenyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-1-yl)-NN-diethylacetamide

SMILES

CCN(CC)C(CN(c1c(C(N2c3ccc(CC(NCc4ccccc4)=O)cc3)=O)scc1)C2=O)=O

InChI

InChI=1S/C27H28N4O4S/c1-3-29(4-2)24(33)18-30-22-14-15-36-25(22)26(34)31(27(30)35)21-12-10-19(11-13-21)16-23(32)28-17-20-8-6-5-7-9-20/h5-15H,3-4,16-18H2,1-2H3,(H,28,32)

InChI Key

CCBKZJGDCROXJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.70

Polar Surface Area

71.550

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C241-1931 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C241-1931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1931?
Check Price and Availability of C241-1931, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C241-1931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1931
  • 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 C241-1931 available by request