C741-0420 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)propanamide

C741-0420 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)propanamide
C741-0420 Screening compound: 3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}ethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C741-0420
3-{4-benzyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(2-{[(furan-2-yl)methyl](propan-2-yl)amino}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

C741-0420

Molecular Formula

C29H32N6O3 (C29 H32 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(CCNC(CCc(n1-c2c3cccc2)nnc1N(Cc1ccccc1)C3=O)=O)Cc1ccco1

InChI

InChI=1S/C29H32N6O3/c1-21(2)33(20-23-11-8-18-38-23)17-16-30-27(36)15-14-26-31-32-29-34(19-22-9-4-3-5-10-22)28(37)24-12-6-7-13-25(24)35(26)29/h3-13,18,21H,14-17,19-20H2,1-2H3,(H,30,36)

InChI Key

HFHOSGDEVHSOFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-3.35

Polar Surface Area

75.365

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C741-0420 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C741-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C741-0420?
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What is the minimum amount of C741-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C741-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C741-0420
  • 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 C741-0420 available by request