C200-2371 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C200-2371 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
C200-2371 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2371
3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

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

C200-2371

Molecular Formula

C29H29N5O4 (C29 H29 N5 O4)

Compound Name

3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

IUPAC name

3-{4-benzyl-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl}-N-[2-(34-dimethoxyphenyl)ethyl]propanamide

SMILES

COc(ccc(CCNC(CCc(n1-c2c3cccc2)nnc1N(Cc1ccccc1)C3=O)=O)c1)c1OC

InChI

InChI=1S/C29H29N5O4/c1-37-24-13-12-20(18-25(24)38-2)16-17-30-27(35)15-14-26-31-32-29-33(19-21-8-4-3-5-9-21)28(36)22-10-6-7-11-23(22)34(26)29/h3-13,18H,14-17,19H2,1-2H3,(H,30,35)

InChI Key

GACSRGYTRHYJQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.191

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-3.09

Polar Surface Area

79.280

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C200-2371 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C200-2371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2371?
Check Price and Availability of C200-2371, 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 C200-2371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2371
  • 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 C200-2371 available by request