C200-8500 Screening compound: N~1~-(2,5-difluorobenzyl)-3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide

C200-8500 Screening compound: N~1~-(2,5-difluorobenzyl)-3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
C200-8500 Screening compound: N~1~-(2,5-difluorobenzyl)-3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8500
N~1~-(2,5-difluorobenzyl)-3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-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

C200-8500

Molecular Formula

C21H21F2N5O2S (C21 H21 F2 N5 O2 S)

Compound Name

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

IUPAC name

N-[(25-difluorophenyl)methyl]-3-[8-(2-methylpropyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]propanamide

SMILES

CC(C)CN(c1nnc(CCC(NCc(cc(cc2)F)c2F)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C21H21F2N5O2S/c1-12(2)11-27-20(30)19-16(7-8-31-19)28-17(25-26-21(27)28)5-6-18(29)24-10-13-9-14(22)3-4-15(13)23/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,24,29)

InChI Key

SXSPRBVBSUEZPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.76

Polar Surface Area

65.468

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C200-8500 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-8500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8500?
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What is the minimum amount of C200-8500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8500
  • 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 C200-8500 available by request