C200-3041 Screening compound: 3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

C200-3041 Screening compound: 3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
C200-3041 Screening compound: 3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3041
3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

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

C200-3041

Molecular Formula

C14H17N3S (C14 H17 N3 S)

Compound Name

3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

IUPAC name

3-(4-methylphenyl)-148-triazaspiro[4.5]dec-3-ene-2-thione

SMILES

Cc(cc1)ccc1C1=NC2(CCNCC2)NC1=S

InChI

InChI=1S/C14H17N3S/c1-10-2-4-11(5-3-10)12-13(18)17-14(16-12)6-8-15-9-7-14/h2-5,15H,6-9H2,1H3,(H,17,18)

InChI Key

CYZUOGBZWMPFHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726693

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

259.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.434

Distribution Coefficient, logD

-1.917

Water Solubility, LogSw

-1.67

Polar Surface Area

32.660

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C200-3041 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 C200-3041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3041?
Check Price and Availability of C200-3041, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-3041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3041
  • 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 C200-3041 available by request