F471-0985 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0985 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0985 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-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 F471-0985
2-[(2-chloro-4-fluorophenyl)methyl]-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

F471-0985

Molecular Formula

C24H25ClFN5O3 (C24 H25 ClFN5 O3)

Compound Name

2-[(2-chloro-4-fluorophenyl)methyl]-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-[(2-chloro-4-fluorophenyl)methyl]-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(Cc(ccc(F)c4)c4Cl)C2=O)c1C3=O)=O

InChI

InChI=1S/C24H25ClFN5O3/c1-13(2)11-27-21(32)15-6-8-18-20(9-15)31-23(30(14(3)4)22(18)33)28-29(24(31)34)12-16-5-7-17(26)10-19(16)25/h5-10,13-14H,11-12H2,1-4H3,(H,27,32)

InChI Key

HKMNWEASMSIXGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.95

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

4.183

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.45

Polar Surface Area

72.612

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F471-0985 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F471-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0985?
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What is the minimum amount of F471-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0985
  • 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 F471-0985 available by request