C200-2769 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide

C200-2769 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
C200-2769 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-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 C200-2769
N~1~-(3-fluoro-4-methylphenyl)-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

C200-2769

Molecular Formula

C19H18FN5O2S (C19 H18 FN5 O2 S)

Compound Name

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

SMILES

Cc(ccc(NC(CCCc(n1-c2c3scc2)nnc1N(C)C3=O)=O)c1)c1F

InChI

InChI=1S/C19H18FN5O2S/c1-11-6-7-12(10-13(11)20)21-16(26)5-3-4-15-22-23-19-24(2)18(27)17-14(25(15)19)8-9-28-17/h6-10H,3-5H2,1-2H3,(H,21,26)

InChI Key

UFDZQFMECTYUNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-2.93

Polar Surface Area

63.911

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C200-2769 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C200-2769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2769?
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What is the minimum amount of C200-2769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2769
  • 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 C200-2769 available by request