C200-3852 Screening compound: 3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-methylphenyl)propanamide

C200-3852 Screening compound: 3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-methylphenyl)propanamide
C200-3852 Screening compound: 3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3852
3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-methylphenyl)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

C200-3852

Molecular Formula

C18H17N5O2S (C18 H17 N5 O2 S)

Compound Name

3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(3-methylphenyl)propanamide

IUPAC name

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

SMILES

Cc1cccc(NC(CCc(n2-c3c4scc3)nnc2N(C)C4=O)=O)c1

InChI

InChI=1S/C18H17N5O2S/c1-11-4-3-5-12(10-11)19-15(24)7-6-14-20-21-18-22(2)17(25)16-13(23(14)18)8-9-26-16/h3-5,8-10H,6-7H2,1-2H3,(H,19,24)

InChI Key

OSUBYHCYXGMSDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.932

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-2.70

Polar Surface Area

63.911

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C200-3852 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-3852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3852?
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What is the minimum amount of C200-3852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3852
  • 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 C200-3852 available by request