C241-1436 Screening compound: benzyl 2-[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetate

C241-1436 Screening compound: benzyl 2-[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetate
C241-1436 Screening compound: benzyl 2-[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1436
benzyl 2-[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetate

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

C241-1436

Molecular Formula

C24H23N3O6S (C24 H23 N3 O6 S)

Compound Name

benzyl 2-[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-1-yl]acetate

IUPAC name

benzyl 2-[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-1-yl]acetate

SMILES

O=C(CCCN(C(c(scc1)c1N1CC(OCc2ccccc2)=O)=O)C1=O)NCc1ccco1

InChI

InChI=1S/C24H23N3O6S/c28-20(25-14-18-8-5-12-32-18)9-4-11-26-23(30)22-19(10-13-34-22)27(24(26)31)15-21(29)33-16-17-6-2-1-3-7-17/h1-3,5-8,10,12-13H,4,9,11,14-16H2,(H,25,28)

InChI Key

OFOVBQSLAYAROS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-3.38

Polar Surface Area

85.018

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C241-1436 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C241-1436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1436?
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What is the minimum amount of C241-1436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1436
  • 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 C241-1436 available by request