C200-2856 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

C200-2856 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
C200-2856 Screening compound: N~1~-(3,4-diethoxyphenethyl)-4-(4-ethyl-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 C200-2856
N~1~-(3,4-diethoxyphenethyl)-4-(4-ethyl-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

C200-2856

Molecular Formula

C25H31N5O4S (C25 H31 N5 O4 S)

Compound Name

N~1~-(3,4-diethoxyphenethyl)-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-{8-ethyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}butanamide

SMILES

CCN(c1nnc(CCCC(NCCc(cc2)cc(OCC)c2OCC)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C25H31N5O4S/c1-4-29-24(32)23-18(13-15-35-23)30-21(27-28-25(29)30)8-7-9-22(31)26-14-12-17-10-11-19(33-5-2)20(16-17)34-6-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3,(H,26,31)

InChI Key

ACCOFCDLGINJFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-2.55

Polar Surface Area

79.454

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C200-2856 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-2856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2856?
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What is the minimum amount of C200-2856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2856
  • 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 C200-2856 available by request