C241-1407 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

C241-1407 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide
C241-1407 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1407
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-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

C241-1407

Molecular Formula

C26H22N4O5S (C26 H22 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(CN(c2c(C(N3CCCC(NCc(cc4)cc5c4OCO5)=O)=O)scc2)C3=O)cccc1

InChI

InChI=1S/C26H22N4O5S/c27-13-18-4-1-2-5-19(18)15-30-20-9-11-36-24(20)25(32)29(26(30)33)10-3-6-23(31)28-14-17-7-8-21-22(12-17)35-16-34-21/h1-2,4-5,7-9,11-12H,3,6,10,14-16H2,(H,28,31)

InChI Key

YOHKCGGXEYBWGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-3.59

Polar Surface Area

90.907

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C241-1407 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Receptors Annotated Library (5376 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1407?
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What is the minimum amount of C241-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1407
  • 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 C241-1407 available by request