C741-0777 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C741-0777 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
C741-0777 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0777
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]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

C741-0777

Molecular Formula

C28H25N5O4 (C28 H25 N5 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-oxo-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[5-oxo-4-(2-phenylethyl)-4H5H-[124]triazolo[43-a]quinazolin-1-yl]propanamide

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(CCc1ccccc1)C3=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H25N5O4/c34-26(29-17-20-10-11-23-24(16-20)37-18-36-23)13-12-25-30-31-28-32(15-14-19-6-2-1-3-7-19)27(35)21-8-4-5-9-22(21)33(25)28/h1-11,16H,12-15,17-18H2,(H,29,34)

InChI Key

UTUDZSVLFBLVTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.64

Polar Surface Area

81.272

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C741-0777 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C741-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0777?
Check Price and Availability of C741-0777, 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 C741-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0777
  • 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 C741-0777 available by request