4483-3382 Screening compound: 4-[2-(1-octanoyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoic acid

4483-3382 Screening compound: 4-[2-(1-octanoyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoic acid
4483-3382 Screening compound: 4-[2-(1-octanoyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3382
4-[2-(1-octanoyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoic acid

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

4483-3382

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

4-[2-(1-octanoyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoic acid

IUPAC name

4-[2-(1-octanoyl-3-oxo-1234-tetrahydroquinoxalin-2-yl)acetamido]benzoic acid

SMILES

CCCCCCCC(N(C1CC(Nc(cc2)ccc2C(O)=O)=O)c(cccc2)c2NC1=O)=O

InChI

InChI=1S/C25H29N3O5/c1-2-3-4-5-6-11-23(30)28-20-10-8-7-9-19(20)27-24(31)21(28)16-22(29)26-18-14-12-17(13-15-18)25(32)33/h7-10,12-15,21H,2-6,11,16H2,1H3,(H,26,29)(H,27,31)(H,32,33)/t21-/m0/s1

InChI Key

UQIWPQBPZJNIPN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02319318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

2.125

Water Solubility, LogSw

-4.22

Polar Surface Area

90.662

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

4483-3382 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4483-3382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3382?
Check Price and Availability of 4483-3382, 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 4483-3382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3382
  • 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 4483-3382 available by request