4477-0373 Screening compound: 2,4-diethyl-2-methyl-1-[(4-nitrophenyl)methyl]-1,2-dihydroquinoline

4477-0373 Screening compound: 2,4-diethyl-2-methyl-1-[(4-nitrophenyl)methyl]-1,2-dihydroquinoline
4477-0373 Screening compound: 2,4-diethyl-2-methyl-1-[(4-nitrophenyl)methyl]-1,2-dihydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0373
2,4-diethyl-2-methyl-1-[(4-nitrophenyl)methyl]-1,2-dihydroquinoline

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

4477-0373

Molecular Formula

C21H24N2O2 (C21 H24 N2 O2)

Compound Name

2,4-diethyl-2-methyl-1-[(4-nitrophenyl)methyl]-1,2-dihydroquinoline

IUPAC name

24-diethyl-2-methyl-1-[(4-nitrophenyl)methyl]-12-dihydroquinoline

SMILES

CCC1(C)N(Cc(cc2)ccc2[N+]([O-])=O)c(cccc2)c2C(CC)=C1

InChI

InChI=1S/C21H24N2O2/c1-4-17-14-21(3,5-2)22(20-9-7-6-8-19(17)20)15-16-10-12-18(13-11-16)23(24)25/h6-14H,4-5,15H2,1-3H3/t21-/m0/s1

InChI Key

DHIOTSTZSHAYEB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00627112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

5.781

Water Solubility, LogSw

-5.64

Polar Surface Area

35.483

Acid Dissociation Constant (pKa)

27.04

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4477-0373 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4477-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0373?
Check Price and Availability of 4477-0373, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4477-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0373
  • 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 4477-0373 available by request