C200-7688 Screening compound: 5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

C200-7688 Screening compound: 5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
C200-7688 Screening compound: 5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7688
5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-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

C200-7688

Molecular Formula

C16H19N5O2S (C16 H19 N5 O2 S)

Compound Name

5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CCCN(C(N1c2c3ccc(C(NC(C)C)=O)c2)=NNC1=S)C3=O

InChI

InChI=1S/C16H19N5O2S/c1-4-7-20-14(23)11-6-5-10(13(22)17-9(2)3)8-12(11)21-15(20)18-19-16(21)24/h5-6,8-9H,4,7H2,1-3H3,(H,17,22)(H,19,24)

InChI Key

ZKOYITQVZRJHGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.856

Distribution Coefficient, logD

-5.265

Water Solubility, LogSw

-2.73

Polar Surface Area

67.283

Acid Dissociation Constant (pKa)

5.97

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C200-7688 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Kinases Inhibitors Library (36801 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
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-7688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7688?
Check Price and Availability of C200-7688, 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 C200-7688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7688
  • 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 C200-7688 available by request