F471-0892 Screening compound: N-(butan-2-yl)-2-[(2-chlorophenyl)methyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0892 Screening compound: N-(butan-2-yl)-2-[(2-chlorophenyl)methyl]-1,5-dioxo-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0892 Screening compound: N-(butan-2-yl)-2-[(2-chlorophenyl)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 F471-0892
N-(butan-2-yl)-2-[(2-chlorophenyl)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

F471-0892

Molecular Formula

C24H26ClN5O3 (C24 H26 ClN5 O3)

Compound Name

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

SMILES

CCC(C)NC(c(cc1)cc(N2C(N3C(C)C)=NN(Cc(cccc4)c4Cl)C2=O)c1C3=O)=O

InChI

InChI=1S/C24H26ClN5O3/c1-5-15(4)26-21(31)16-10-11-18-20(12-16)30-23(29(14(2)3)22(18)32)27-28(24(30)33)13-17-8-6-7-9-19(17)25/h6-12,14-15H,5,13H2,1-4H3,(H,26,31)/t15-/m0/s1

InChI Key

IEIROFRNTZLCIE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD11998422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-4.09

Polar Surface Area

72.054

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F471-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0892?
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What is the minimum amount of F471-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0892
  • 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 F471-0892 available by request