F471-0973 Screening compound: 2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0973 Screening compound: 2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0973 Screening compound: 2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-N-(2-methylpropyl)-1,5-dioxo-4-(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 F471-0973
2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-N-(2-methylpropyl)-1,5-dioxo-4-(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

F471-0973

Molecular Formula

C28H33N5O4 (C28 H33 N5 O4)

Compound Name

2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

2-[1-(34-dimethylphenyl)-1-oxopropan-2-yl]-N-(2-methylpropyl)-15-dioxo-4-(propan-2-yl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N2C(N3C(C)C)=NN(C(C)C(c4cc(C)c(C)cc4)=O)C2=O)c1C3=O)=O

InChI

InChI=1S/C28H33N5O4/c1-15(2)14-29-25(35)21-10-11-22-23(13-21)32-27(31(16(3)4)26(22)36)30-33(28(32)37)19(7)24(34)20-9-8-17(5)18(6)12-20/h8-13,15-16,19H,14H2,1-7H3,(H,29,35)/t19-/m0/s1

InChI Key

HKVUGKMEHVFJNW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27132512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

4.598

Water Solubility, LogSw

-4.36

Polar Surface Area

84.884

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

F471-0973 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with F471-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0973?
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What is the minimum amount of F471-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0973
  • 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 F471-0973 available by request