C241-1329 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide

C241-1329 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide
C241-1329 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1329
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide

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

C241-1329

Molecular Formula

C27H23N5O6S (C27 H23 N5 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[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]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[1-({6-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]propanamide

SMILES

CC(N12)=CC=CC2=NC(CN(c2c(C(N3CCC(NCc(cc4)cc5c4OCO5)=O)=O)scc2)C3=O)=CC1=O

InChI

InChI=1S/C27H23N5O6S/c1-16-3-2-4-22-29-18(12-24(34)32(16)22)14-31-19-8-10-39-25(19)26(35)30(27(31)36)9-7-23(33)28-13-17-5-6-20-21(11-17)38-15-37-20/h2-6,8,10-12H,7,9,13-15H2,1H3,(H,28,33)

InChI Key

ZOJICJHPJKMBMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.92

Polar Surface Area

99.502

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C241-1329 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 C241-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C241-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1329
  • 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 C241-1329 available by request