F471-0029 Screening compound: 1,5-dioxo-N-(propan-2-yl)-4-propyl-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0029 Screening compound: 1,5-dioxo-N-(propan-2-yl)-4-propyl-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0029 Screening compound: 1,5-dioxo-N-(propan-2-yl)-4-propyl-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F471-0029
1,5-dioxo-N-(propan-2-yl)-4-propyl-2-{[3-(trifluoromethyl)phenyl]methyl}-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

F471-0029

Molecular Formula

C24H24F3N5O3 (C24 H24 F3 N5 O3)

Compound Name

1,5-dioxo-N-(propan-2-yl)-4-propyl-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

15-dioxo-N-(propan-2-yl)-4-propyl-2-{[3-(trifluoromethyl)phenyl]methyl}-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CCCN(C(N1c2c3ccc(C(NC(C)C)=O)c2)=NN(Cc2cccc(C(F)(F)F)c2)C1=O)C3=O

InChI

InChI=1S/C24H24F3N5O3/c1-4-10-30-21(34)18-9-8-16(20(33)28-14(2)3)12-19(18)32-22(30)29-31(23(32)35)13-15-6-5-7-17(11-15)24(25,26)27/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,28,33)

InChI Key

COCGWFFPJRPAAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-4.03

Polar Surface Area

71.844

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F471-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0029?
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What is the minimum amount of F471-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0029
  • 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 F471-0029 available by request