8014-3331 Screening compound: 4-nitrobenzyl 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylate

8014-3331 Screening compound: 4-nitrobenzyl 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylate
8014-3331 Screening compound: 4-nitrobenzyl 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3331
4-nitrobenzyl 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylate

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

8014-3331

Molecular Formula

C26H22N2O4 (C26 H22 N2 O4)

Compound Name

4-nitrobenzyl 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylate

IUPAC name

(4-nitrophenyl)methyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate

SMILES

CCc(cc1)ccc1-c1nc2ccc(C)cc2c(C(OCc(cc2)ccc2[N+]([O-])=O)=O)c1

InChI

InChI=1S/C26H22N2O4/c1-3-18-5-9-20(10-6-18)25-15-23(22-14-17(2)4-13-24(22)27-25)26(29)32-16-19-7-11-21(12-8-19)28(30)31/h4-15H,3,16H2,1-2H3

InChI Key

JNMBRUYGFXVHJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03725650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.623

Distribution Coefficient, logD

7.544

Water Solubility, LogSw

-5.72

Polar Surface Area

62.537

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8014-3331 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3331?
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What is the minimum amount of 8014-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3331
  • 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 8014-3331 available by request