C200-8886 Screening compound: 7-chloro-4-[3-(propan-2-yloxy)propyl]-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C200-8886 Screening compound: 7-chloro-4-[3-(propan-2-yloxy)propyl]-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C200-8886 Screening compound: 7-chloro-4-[3-(propan-2-yloxy)propyl]-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8886
7-chloro-4-[3-(propan-2-yloxy)propyl]-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-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

C200-8886

Molecular Formula

C15H17ClN4O2S (C15 H17 ClN4 O2 S)

Compound Name

7-chloro-4-[3-(propan-2-yloxy)propyl]-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

7-chloro-4-[3-(propan-2-yloxy)propyl]-1-sulfanylidene-1H2H4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

CC(C)OCCCN(C(N1c(cc2)c3cc2Cl)=NNC1=S)C3=O

InChI

InChI=1S/C15H17ClN4O2S/c1-9(2)22-7-3-6-19-13(21)11-8-10(16)4-5-12(11)20-14(19)17-18-15(20)23/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,23)

InChI Key

XQVTWTZOKDBSJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

-4.116

Water Solubility, LogSw

-3.59

Polar Surface Area

50.825

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C200-8886 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-8886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8886?
Check Price and Availability of C200-8886, 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 C200-8886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8886
  • 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 C200-8886 available by request