C241-1404 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide

C241-1404 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide
C241-1404 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1404
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]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

C241-1404

Molecular Formula

C25H28N4O7S (C25 H28 N4 O7 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2,4-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[24-dioxo-1-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]butanamide

SMILES

O=C(CCCN(C(c(scc1)c1N1CC(NCC2OCCC2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H28N4O7S/c30-21(26-12-16-5-6-19-20(11-16)36-15-35-19)4-1-8-28-24(32)23-18(7-10-37-23)29(25(28)33)14-22(31)27-13-17-3-2-9-34-17/h5-7,10-11,17H,1-4,8-9,12-15H2,(H,26,30)(H,27,31)/t17-/m1/s1

InChI Key

KELMSFOIMNISKU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14734444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.909

Distribution Coefficient, logD

0.909

Water Solubility, LogSw

-2.40

Polar Surface Area

106.976

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C241-1404 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C241-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1404?
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What is the minimum amount of C241-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1404
  • 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 C241-1404 available by request