C241-1411 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide

C241-1411 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}butanamide
C241-1411 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2,5-dimethylphenyl)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 C241-1411
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2,5-dimethylphenyl)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

C241-1411

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(2,5-dimethylphenyl)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-[(25-dimethylphenyl)methyl]-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}butanamide

SMILES

Cc1cc(CN(c2c(C(N3CCCC(NCc(cc4)cc5c4OCO5)=O)=O)scc2)C3=O)c(C)cc1

InChI

InChI=1S/C27H27N3O5S/c1-17-5-6-18(2)20(12-17)15-30-21-9-11-36-25(21)26(32)29(27(30)33)10-3-4-24(31)28-14-19-7-8-22-23(13-19)35-16-34-22/h5-9,11-13H,3-4,10,14-16H2,1-2H3,(H,28,31)

InChI Key

NOUOPQRVJINILO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.28

Polar Surface Area

73.851

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C241-1411 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C241-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1411?
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What is the minimum amount of C241-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1411
  • 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 C241-1411 available by request