C200-7065 Screening compound: 4-(4-isopropylbenzyl)-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

C200-7065 Screening compound: 4-(4-isopropylbenzyl)-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
C200-7065 Screening compound: 4-(4-isopropylbenzyl)-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7065
4-(4-isopropylbenzyl)-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

C200-7065

Molecular Formula

C28H27N5O2S2 (C28 H27 N5 O2 S2)

Compound Name

4-(4-isopropylbenzyl)-1-{[4-(2-oxo-1-pyrrolidinyl)benzyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-8-{[4-(propan-2-yl)phenyl]methyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CC(C)c1ccc(CN(c(n2-c3c4scc3)nnc2SCc(cc2)ccc2N(CCC2)C2=O)C4=O)cc1

InChI

InChI=1S/C28H27N5O2S2/c1-18(2)21-9-5-19(6-10-21)16-32-26(35)25-23(13-15-36-25)33-27(32)29-30-28(33)37-17-20-7-11-22(12-8-20)31-14-3-4-24(31)34/h5-13,15,18H,3-4,14,16-17H2,1-2H3

InChI Key

CWHXYLUOZQIBBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.557

Distribution Coefficient, logD

5.557

Water Solubility, LogSw

-5.21

Polar Surface Area

57.147

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C200-7065 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 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
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-7065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7065?
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What is the minimum amount of C200-7065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7065
  • 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 C200-7065 available by request