F471-0168 Screening compound: 2-[2-(4-chlorophenyl)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0168 Screening compound: 2-[2-(4-chlorophenyl)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0168 Screening compound: 2-[2-(4-chlorophenyl)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-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 F471-0168
2-[2-(4-chlorophenyl)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-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

F471-0168

Molecular Formula

C25H26ClN5O4 (C25 H26 ClN5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C(N1c2c3ccc(C(NC(C)C)=O)c2)=NN(CC(c(cc2)ccc2Cl)=O)C1=O)C3=O

InChI

InChI=1S/C25H26ClN5O4/c1-14(2)12-29-23(34)19-10-7-17(22(33)27-15(3)4)11-20(19)31-24(29)28-30(25(31)35)13-21(32)16-5-8-18(26)9-6-16/h5-11,14-15H,12-13H2,1-4H3,(H,27,33)

InChI Key

KFAWVWABORYJMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.97

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

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-4.05

Polar Surface Area

85.113

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F471-0168 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 F471-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0168?
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What is the minimum amount of F471-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0168
  • 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 F471-0168 available by request