C241-1155 Screening compound: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-fluoro-4-methylphenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

C241-1155 Screening compound: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-fluoro-4-methylphenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
C241-1155 Screening compound: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-fluoro-4-methylphenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1155
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-fluoro-4-methylphenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

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

C241-1155

Molecular Formula

C21H14BrFN2O3S (C21 H14 BrFN2 O3 S)

Compound Name

1-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-fluoro-4-methylphenyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

IUPAC name

1-[2-(4-bromophenyl)-2-oxoethyl]-3-(3-fluoro-4-methylphenyl)-1H2H3H4H-thieno[32-d]pyrimidine-24-dione

SMILES

Cc(ccc(N(C(c(scc1)c1N1CC(c(cc2)ccc2Br)=O)=O)C1=O)c1)c1F

InChI

InChI=1S/C21H14BrFN2O3S/c1-12-2-7-15(10-16(12)23)25-20(27)19-17(8-9-29-19)24(21(25)28)11-18(26)13-3-5-14(22)6-4-13/h2-10H,11H2,1H3

InChI Key

BPRJLYCZMAUDFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-4.59

Polar Surface Area

44.921

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C241-1155 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 C241-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1155?
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What is the minimum amount of C241-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1155
  • 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 C241-1155 available by request