C200-3745 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

C200-3745 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
C200-3745 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3745
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-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

C200-3745

Molecular Formula

C26H31ClN4O4S (C26 H31 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCSC1=NC(CC2)(CCN2C(Nc(c(OC)c2)cc(Cl)c2OC)=O)N=C1c(cc1)ccc1OC

InChI

InChI=1S/C26H31ClN4O4S/c1-5-14-36-24-23(17-6-8-18(33-2)9-7-17)29-26(30-24)10-12-31(13-11-26)25(32)28-20-15-19(27)21(34-3)16-22(20)35-4/h6-9,15-16H,5,10-14H2,1-4H3,(H,28,32)

InChI Key

OQQFFJVQRLTUHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.99

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

42.30

C200-3745 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 C200-3745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3745?
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What is the minimum amount of C200-3745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3745
  • 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 C200-3745 available by request