G940-0450 Screening compound: ethyl 4-[1-(pyridine-3-sulfonyl)piperidine-4-amido]benzoate

G940-0450 Screening compound: ethyl 4-[1-(pyridine-3-sulfonyl)piperidine-4-amido]benzoate
G940-0450 Screening compound: ethyl 4-[1-(pyridine-3-sulfonyl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G940-0450
ethyl 4-[1-(pyridine-3-sulfonyl)piperidine-4-amido]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

G940-0450

Molecular Formula

C20H23N3O5S (C20 H23 N3 O5 S)

Compound Name

ethyl 4-[1-(pyridine-3-sulfonyl)piperidine-4-amido]benzoate

IUPAC name

ethyl 4-[1-(pyridine-3-sulfonyl)piperidine-4-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(CC1)CCN1S(c1cnccc1)(=O)=O)=O)=O

InChI

InChI=1S/C20H23N3O5S/c1-2-28-20(25)16-5-7-17(8-6-16)22-19(24)15-9-12-23(13-10-15)29(26,27)18-4-3-11-21-14-18/h3-8,11,14-15H,2,9-10,12-13H2,1H3,(H,22,24)

InChI Key

SRWGAUREWHYUHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.209

Water Solubility, LogSw

-2.30

Polar Surface Area

85.312

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G940-0450 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G940-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G940-0450?
Check Price and Availability of G940-0450, 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 G940-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G940-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G940-0450
  • 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 G940-0450 available by request