F471-0444 Screening compound: 4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-2-(2-oxo-2-phenylethyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0444 Screening compound: 4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-2-(2-oxo-2-phenylethyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0444 Screening compound: 4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-2-(2-oxo-2-phenylethyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F471-0444
4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-2-(2-oxo-2-phenylethyl)-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

F471-0444

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-2-(2-oxo-2-phenylethyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

4-(3-methylbutyl)-N-(2-methylpropyl)-15-dioxo-2-(2-oxo-2-phenylethyl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)CCN(C(N1c2c3ccc(C(NCC(C)C)=O)c2)=NN(CC(c2ccccc2)=O)C1=O)C3=O

InChI

InChI=1S/C27H31N5O4/c1-17(2)12-13-30-25(35)21-11-10-20(24(34)28-15-18(3)4)14-22(21)32-26(30)29-31(27(32)36)16-23(33)19-8-6-5-7-9-19/h5-11,14,17-18H,12-13,15-16H2,1-4H3,(H,28,34)

InChI Key

FZNCVZDOEKEZSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.89

Polar Surface Area

86.117

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

F471-0444 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F471-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0444?
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What is the minimum amount of F471-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0444
  • 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 F471-0444 available by request