F471-0958 Screening compound: N-cyclohexyl-2-[(3-methylphenyl)methyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0958 Screening compound: N-cyclohexyl-2-[(3-methylphenyl)methyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0958 Screening compound: N-cyclohexyl-2-[(3-methylphenyl)methyl]-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 F471-0958
N-cyclohexyl-2-[(3-methylphenyl)methyl]-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

F471-0958

Molecular Formula

C27H31N5O3 (C27 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(C(N1c2c3ccc(C(NC4CCCCC4)=O)c2)=NN(Cc2cc(C)ccc2)C1=O)C3=O

InChI

InChI=1S/C27H31N5O3/c1-17(2)31-25(34)22-13-12-20(24(33)28-21-10-5-4-6-11-21)15-23(22)32-26(31)29-30(27(32)35)16-19-9-7-8-18(3)14-19/h7-9,12-15,17,21H,4-6,10-11,16H2,1-3H3,(H,28,33)

InChI Key

PTNVNZKKCMCYNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.51

Polar Surface Area

72.066

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with F471-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0958?
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What is the minimum amount of F471-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0958
  • 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 F471-0958 available by request