F471-0903 Screening compound: N-(butan-2-yl)-1,5-dioxo-4-(propan-2-yl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0903 Screening compound: N-(butan-2-yl)-1,5-dioxo-4-(propan-2-yl)-2-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0903 Screening compound: N-(butan-2-yl)-1,5-dioxo-4-(propan-2-yl)-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 F471-0903
N-(butan-2-yl)-1,5-dioxo-4-(propan-2-yl)-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

F471-0903

Molecular Formula

C25H26F3N5O3 (C25 H26 F3 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c(cc1)cc(N2C(N3C(C)C)=NN(Cc4cccc(C(F)(F)F)c4)C2=O)c1C3=O)=O

InChI

InChI=1S/C25H26F3N5O3/c1-5-15(4)29-21(34)17-9-10-19-20(12-17)33-23(32(14(2)3)22(19)35)30-31(24(33)36)13-16-7-6-8-18(11-16)25(26,27)28/h6-12,14-15H,5,13H2,1-4H3,(H,29,34)/t15-/m0/s1

InChI Key

PBGLBGBXSKHYGH-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27132455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.781

Water Solubility, LogSw

-4.10

Polar Surface Area

72.054

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with F471-0903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0903?
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What is the minimum amount of F471-0903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0903
  • 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 F471-0903 available by request