3401-5495 Screening compound: 5-chloro-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-nitrobenzamide

3401-5495 Screening compound: 5-chloro-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-nitrobenzamide
3401-5495 Screening compound: 5-chloro-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3401-5495
5-chloro-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-nitrobenzamide

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

3401-5495

Molecular Formula

C21H12ClFN4O4 (C21 H12 ClFN4 O4)

Compound Name

5-chloro-N-[2-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-2-nitrobenzamide

IUPAC name

5-chloro-N-[2-(2-fluorophenyl)-4-oxo-34-dihydroquinazolin-3-yl]-2-nitrobenzamide

SMILES

[O-][N+](c(ccc(Cl)c1)c1C(NN(C(c(cccc1)c1F)=Nc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C21H12ClFN4O4/c22-12-9-10-18(27(30)31)15(11-12)20(28)25-26-19(13-5-1-3-7-16(13)23)24-17-8-4-2-6-14(17)21(26)29/h1-11H,(H,25,28)

InChI Key

MZPDKAWKRIYSAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

0.456

Water Solubility, LogSw

-3.85

Polar Surface Area

84.832

Acid Dissociation Constant (pKa)

5.19

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3401-5495 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3401-5495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3401-5495?
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What is the minimum amount of 3401-5495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3401-5495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3401-5495
  • 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 3401-5495 available by request