G406-0439 Screening compound: ethyl 3-{2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamido}benzoate

G406-0439 Screening compound: ethyl 3-{2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamido}benzoate
G406-0439 Screening compound: ethyl 3-{2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G406-0439
ethyl 3-{2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamido}benzoate

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

G406-0439

Molecular Formula

C25H29N3O6S (C25 H29 N3 O6 S)

Compound Name

ethyl 3-{2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-yl]acetamido}benzoate

IUPAC name

ethyl 3-{2-[2-oxo-6-(piperidine-1-sulfonyl)-1234-tetrahydroquinolin-1-yl]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(CN(C(CC2)=O)c(cc3)c2cc3S(N2CCCCC2)(=O)=O)=O)c1)=O

InChI

InChI=1S/C25H29N3O6S/c1-2-34-25(31)19-7-6-8-20(15-19)26-23(29)17-28-22-11-10-21(16-18(22)9-12-24(28)30)35(32,33)27-13-4-3-5-14-27/h6-8,10-11,15-16H,2-5,9,12-14,17H2,1H3,(H,26,29)

InChI Key

NOYNPLJMRSPBEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15009763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.193

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.13

Polar Surface Area

91.233

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G406-0439 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with G406-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G406-0439?
Check Price and Availability of G406-0439, 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 G406-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G406-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G406-0439
  • 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 G406-0439 available by request