C241-1778 Screening compound: 2-(1-{[(4-bromophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(furan-2-yl)methyl]acetamide

C241-1778 Screening compound: 2-(1-{[(4-bromophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(furan-2-yl)methyl]acetamide
C241-1778 Screening compound: 2-(1-{[(4-bromophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1778
2-(1-{[(4-bromophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(furan-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

C241-1778

Molecular Formula

C21H17BrN4O5S (C21 H17 BrN4 O5 S)

Compound Name

2-(1-{[(4-bromophenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-(1-{[(4-bromophenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)-N-[(furan-2-yl)methyl]acetamide

SMILES

O=C(CN(C(c(scc1)c1N1CC(Nc(cc2)ccc2Br)=O)=O)C1=O)NCc1ccco1

InChI

InChI=1S/C21H17BrN4O5S/c22-13-3-5-14(6-4-13)24-18(28)12-25-16-7-9-32-19(16)20(29)26(21(25)30)11-17(27)23-10-15-2-1-8-31-15/h1-9H,10-12H2,(H,23,27)(H,24,28)

InChI Key

BLAJWMDOVWPUPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.77

Polar Surface Area

87.655

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C241-1778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1778?
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What is the minimum amount of C241-1778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1778
  • 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 C241-1778 available by request