F471-0800 Screening compound: 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0800 Screening compound: 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0800 Screening compound: 2-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F471-0800
2-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methyl-1,5-dioxo-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

F471-0800

Molecular Formula

C24H24ClN5O3 (C24 H24 ClN5 O3)

Compound Name

2-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

2-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methyl-15-dioxo-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CN(C(N1c2c3ccc(C(NC4CCCCC4)=O)c2)=NN(Cc(cc2)ccc2Cl)C1=O)C3=O

InChI

InChI=1S/C24H24ClN5O3/c1-28-22(32)19-12-9-16(21(31)26-18-5-3-2-4-6-18)13-20(19)30-23(28)27-29(24(30)33)14-15-7-10-17(25)11-8-15/h7-13,18H,2-6,14H2,1H3,(H,26,31)

InChI Key

XBCILYZANCATNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-4.23

Polar Surface Area

72.111

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F471-0800 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F471-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0800?
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What is the minimum amount of F471-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0800
  • 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 F471-0800 available by request