C741-0406 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}propanamide

C741-0406 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}propanamide
C741-0406 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0406
3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]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

C741-0406

Molecular Formula

C32H35N7O3 (C32 H35 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N1CCN(CCNC(CCc(n2-c3c4cccc3)nnc2N(Cc2ccccc2)C4=O)=O)CC1

InChI

InChI=1S/C32H35N7O3/c1-42-26-13-11-25(12-14-26)37-21-19-36(20-22-37)18-17-33-30(40)16-15-29-34-35-32-38(23-24-7-3-2-4-8-24)31(41)27-9-5-6-10-28(27)39(29)32/h2-14H,15-23H2,1H3,(H,33,40)

InChI Key

PWNCRVPFJFMOPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.524

Water Solubility, LogSw

-3.32

Polar Surface Area

78.806

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C741-0406 in Drug Discovery

Included in Screening Libraries

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

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 C741-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0406?
Check Price and Availability of C741-0406, 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 C741-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0406
  • 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 C741-0406 available by request