3401-5441 Screening compound: N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

3401-5441 Screening compound: N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
3401-5441 Screening compound: N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3401-5441
N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

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

3401-5441

Molecular Formula

C20H15ClN6O4 (C20 H15 ClN6 O4)

Compound Name

N-[2-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

IUPAC name

N-[2-(3-chlorophenyl)-4-oxo-34-dihydroquinazolin-3-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

SMILES

Cc1cc([N+]([O-])=O)nn1CC(NN(C(c1cccc(Cl)c1)=Nc1c2cccc1)C2=O)=O

InChI

InChI=1S/C20H15ClN6O4/c1-12-9-17(27(30)31)23-25(12)11-18(28)24-26-19(13-5-4-6-14(21)10-13)22-16-8-3-2-7-15(16)20(26)29/h2-10H,11H2,1H3,(H,24,28)

InChI Key

ZGYATCPOVRZJPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.484

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-3.02

Polar Surface Area

98.583

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3401-5441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3401-5441?
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What is the minimum amount of 3401-5441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3401-5441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3401-5441
  • 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 3401-5441 available by request