C200-2854 Screening compound: N~1~-{3-[4-(3-chlorophenyl)piperazino]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

C200-2854 Screening compound: N~1~-{3-[4-(3-chlorophenyl)piperazino]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
C200-2854 Screening compound: N~1~-{3-[4-(3-chlorophenyl)piperazino]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2854
N~1~-{3-[4-(3-chlorophenyl)piperazino]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-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

C200-2854

Molecular Formula

C25H30ClN7O2S (C25 H30 ClN7 O2 S)

Compound Name

N~1~-{3-[4-(3-chlorophenyl)piperazino]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-{8-methyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}butanamide

SMILES

CN(c1nnc(CCCC(NCCCN(CC2)CCN2c2cccc(Cl)c2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C25H30ClN7O2S/c1-30-24(35)23-20(9-16-36-23)33-21(28-29-25(30)33)7-3-8-22(34)27-10-4-11-31-12-14-32(15-13-31)19-6-2-5-18(26)17-19/h2,5-6,9,16-17H,3-4,7-8,10-15H2,1H3,(H,27,34)

InChI Key

ASVAPFAYGDAIHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.791

Distribution Coefficient, logD

1.205

Water Solubility, LogSw

-2.95

Polar Surface Area

72.318

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C200-2854 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C200-2854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2854?
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What is the minimum amount of C200-2854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2854
  • 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 C200-2854 available by request