F471-0502 Screening compound: 4-benzyl-2-[(3-methoxyphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0502 Screening compound: 4-benzyl-2-[(3-methoxyphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0502 Screening compound: 4-benzyl-2-[(3-methoxyphenyl)methyl]-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 F471-0502
4-benzyl-2-[(3-methoxyphenyl)methyl]-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

F471-0502

Molecular Formula

C28H27N5O4 (C28 H27 N5 O4)

Compound Name

4-benzyl-2-[(3-methoxyphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

4-benzyl-2-[(3-methoxyphenyl)methyl]-15-dioxo-N-(propan-2-yl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N2C(N3Cc4ccccc4)=NN(Cc4cc(OC)ccc4)C2=O)c1C3=O)=O

InChI

InChI=1S/C28H27N5O4/c1-18(2)29-25(34)21-12-13-23-24(15-21)33-27(31(26(23)35)16-19-8-5-4-6-9-19)30-32(28(33)36)17-20-10-7-11-22(14-20)37-3/h4-15,18H,16-17H2,1-3H3,(H,29,34)

InChI Key

ABABOUKFFAJLQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-4.09

Polar Surface Area

79.138

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with F471-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0502?
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What is the minimum amount of F471-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0502
  • 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 F471-0502 available by request