3389-1284 Screening compound: 1-benzoyl-2,2,4-trimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydroquinoline

3389-1284 Screening compound: 1-benzoyl-2,2,4-trimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydroquinoline
3389-1284 Screening compound: 1-benzoyl-2,2,4-trimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-1284
1-benzoyl-2,2,4-trimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydroquinoline

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

3389-1284

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

1-benzoyl-2,2,4-trimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-benzoyl-224-trimethyl-4-(3-nitrophenyl)-1234-tetrahydroquinoline

SMILES

CC(C)(CC1(C)c2cccc([N+]([O-])=O)c2)N(C(c2ccccc2)=O)c2c1cccc2

InChI

InChI=1S/C25H24N2O3/c1-24(2)17-25(3,19-12-9-13-20(16-19)27(29)30)21-14-7-8-15-22(21)26(24)23(28)18-10-5-4-6-11-18/h4-16H,17H2,1-3H3/t25-/m0/s1

InChI Key

NJQRBQVODSAILN-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01171325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.56

Polar Surface Area

47.434

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

3389-1284 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3389-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-1284?
Check Price and Availability of 3389-1284, 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 3389-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-1284
  • 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 3389-1284 available by request