C200-3781 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

C200-3781 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
C200-3781 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3781
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

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

C200-3781

Molecular Formula

C24H27ClN4O4S (C24 H27 ClN4 O4 S)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-148-triazaspiro[4.5]deca-13-diene-8-carboxamide

SMILES

COc(cc1)ccc1C1=NC(CC2)(CCN2C(Nc(c(OC)c2)cc(Cl)c2OC)=O)N=C1SC

InChI

InChI=1S/C24H27ClN4O4S/c1-31-16-7-5-15(6-8-16)21-22(34-4)28-24(27-21)9-11-29(12-10-24)23(30)26-18-13-17(25)19(32-2)14-20(18)33-3/h5-8,13-14H,9-12H2,1-4H3,(H,26,30)

InChI Key

PSMJNEOGDQGEJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.998

Distribution Coefficient, logD

3.998

Water Solubility, LogSw

-4.57

Polar Surface Area

64.736

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C200-3781 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C200-3781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3781?
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What is the minimum amount of C200-3781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3781
  • 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 C200-3781 available by request