3401-5377 Screening compound: 2-chloro-N-(2-cyclohexyl-4-oxo-3,4-dihydroquinazolin-3-yl)-3,5-dinitrobenzamide

3401-5377 Screening compound: 2-chloro-N-(2-cyclohexyl-4-oxo-3,4-dihydroquinazolin-3-yl)-3,5-dinitrobenzamide
3401-5377 Screening compound: 2-chloro-N-(2-cyclohexyl-4-oxo-3,4-dihydroquinazolin-3-yl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3401-5377
2-chloro-N-(2-cyclohexyl-4-oxo-3,4-dihydroquinazolin-3-yl)-3,5-dinitrobenzamide

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

3401-5377

Molecular Formula

C21H18ClN5O6 (C21 H18 ClN5 O6)

Compound Name

2-chloro-N-(2-cyclohexyl-4-oxo-3,4-dihydroquinazolin-3-yl)-3,5-dinitrobenzamide

IUPAC name

2-chloro-N-(2-cyclohexyl-4-oxo-34-dihydroquinazolin-3-yl)-35-dinitrobenzamide

SMILES

[O-][N+](c(cc1C(NN(C(C2CCCCC2)=Nc2c3cccc2)C3=O)=O)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C21H18ClN5O6/c22-18-15(10-13(26(30)31)11-17(18)27(32)33)20(28)24-25-19(12-6-2-1-3-7-12)23-16-9-5-4-8-14(16)21(25)29/h4-5,8-12H,1-3,6-7H2,(H,24,28)

InChI Key

QFJQRKAFTNNUEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.86

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-4.16

Polar Surface Area

118.405

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 3401-5377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3401-5377?
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What is the minimum amount of 3401-5377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3401-5377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3401-5377
  • 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 3401-5377 available by request