C241-1418 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide

C241-1418 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]butanamide
C241-1418 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}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 C241-1418
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}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

C241-1418

Molecular Formula

C28H25N5O6S (C28 H25 N5 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}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-({6-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]butanamide

SMILES

CC(N12)=CC=CC2=NC(CN(c2c(C(N3CCCC(NCc(cc4)cc5c4OCO5)=O)=O)scc2)C3=O)=CC1=O

InChI

InChI=1S/C28H25N5O6S/c1-17-4-2-5-23-30-19(13-25(35)33(17)23)15-32-20-9-11-40-26(20)27(36)31(28(32)37)10-3-6-24(34)29-14-18-7-8-21-22(12-18)39-16-38-21/h2,4-5,7-9,11-13H,3,6,10,14-16H2,1H3,(H,29,34)

InChI Key

CRXFXAUYIYZJDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.87

Polar Surface Area

99.502

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C241-1418 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C241-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1418?
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What is the minimum amount of C241-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1418
  • 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 C241-1418 available by request