C200-6811 Screening compound: tert-butyl 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

C200-6811 Screening compound: tert-butyl 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
C200-6811 Screening compound: tert-butyl 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6811
tert-butyl 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

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

C200-6811

Molecular Formula

C25H28N4O5S2 (C25 H28 N4 O5 S2)

Compound Name

tert-butyl 2-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

IUPAC name

tert-butyl 2-({[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)-3-(thiophen-2-yl)-148-triazaspiro[4.5]deca-13-diene-8-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1(N=C1c2cccs2)N=C1SCC(Nc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C25H28N4O5S2/c1-24(2,3)34-23(31)29-10-8-25(9-11-29)27-21(19-5-4-12-35-19)22(28-25)36-14-20(30)26-16-6-7-17-18(13-16)33-15-32-17/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,26,30)

InChI Key

DNMGIAHKTFONER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.29

Polar Surface Area

80.254

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C200-6811 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-6811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6811?
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What is the minimum amount of C200-6811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6811
  • 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 C200-6811 available by request