F470-0979 Screening compound: 2-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1,5-dioxo-4-(prop-2-en-1-yl)-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F470-0979 Screening compound: 2-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1,5-dioxo-4-(prop-2-en-1-yl)-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F470-0979 Screening compound: 2-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1,5-dioxo-4-(prop-2-en-1-yl)-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F470-0979
2-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1,5-dioxo-4-(prop-2-en-1-yl)-N-(propan-2-yl)-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

F470-0979

Molecular Formula

C26H28N6O4 (C26 H28 N6 O4)

Compound Name

2-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1,5-dioxo-4-(prop-2-en-1-yl)-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

2-({[(4-methylphenyl)methyl]carbamoyl}methyl)-15-dioxo-4-(prop-2-en-1-yl)-N-(propan-2-yl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N2C(N3CC=C)=NN(CC(NCc4ccc(C)cc4)=O)C2=O)c1C3=O)=O

InChI

InChI=1S/C26H28N6O4/c1-5-12-30-24(35)20-11-10-19(23(34)28-16(2)3)13-21(20)32-25(30)29-31(26(32)36)15-22(33)27-14-18-8-6-17(4)7-9-18/h5-11,13,16H,1,12,14-15H2,2-4H3,(H,27,33)(H,28,34)

InChI Key

HUXGVSYLPQLNMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-3.02

Polar Surface Area

96.316

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

F470-0979 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F470-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F470-0979?
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What is the minimum amount of F470-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F470-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F470-0979
  • 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 F470-0979 available by request