F471-0286 Screening compound: N-cyclohexyl-2-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0286 Screening compound: N-cyclohexyl-2-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0286 Screening compound: N-cyclohexyl-2-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F471-0286
N-cyclohexyl-2-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-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

F471-0286

Molecular Formula

C28H33N5O3 (C28 H33 N5 O3)

Compound Name

N-cyclohexyl-2-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-cyclohexyl-2-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-15-dioxo-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)CN(C(N1c2c3ccc(C(NC4CCCCC4)=O)c2)=NN(Cc2cc(C)ccc2)C1=O)C3=O

InChI

InChI=1S/C28H33N5O3/c1-18(2)16-31-26(35)23-13-12-21(25(34)29-22-10-5-4-6-11-22)15-24(23)33-27(31)30-32(28(33)36)17-20-9-7-8-19(3)14-20/h7-9,12-15,18,22H,4-6,10-11,16-17H2,1-3H3,(H,29,34)

InChI Key

OUSMMWWWHBCYBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-4.97

Polar Surface Area

72.346

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F471-0286 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with F471-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0286?
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What is the minimum amount of F471-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0286
  • 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 F471-0286 available by request