G017-4531 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-3-sulfonamide

G017-4531 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-3-sulfonamide
G017-4531 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G017-4531
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-3-sulfonamide

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

G017-4531

Molecular Formula

C19H24N2O5S2 (C19 H24 N2 O5 S2)

Compound Name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-3-sulfonamide

IUPAC name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-3-sulfonamide

SMILES

CCOc(ccc(CNS(c1csc(C(N2CCCC2)=O)c1)(=O)=O)c1)c1OC

InChI

InChI=1S/C19H24N2O5S2/c1-3-26-16-7-6-14(10-17(16)25-2)12-20-28(23,24)15-11-18(27-13-15)19(22)21-8-4-5-9-21/h6-7,10-11,13,20H,3-5,8-9,12H2,1-2H3

InChI Key

VTEOFFSWVAEESA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.38

Polar Surface Area

74.870

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

G017-4531 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G017-4531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G017-4531?
Check Price and Availability of G017-4531, 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 G017-4531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G017-4531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G017-4531
  • 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 G017-4531 available by request