D399-0422 Screening compound: 5-[1-(2,5-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-1-ethyl-1H-pyrazole

D399-0422 Screening compound: 5-[1-(2,5-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-1-ethyl-1H-pyrazole
D399-0422 Screening compound: 5-[1-(2,5-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-1-ethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-0422
5-[1-(2,5-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-1-ethyl-1H-pyrazole

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

D399-0422

Molecular Formula

C17H23N3O4S (C17 H23 N3 O4 S)

Compound Name

5-[1-(2,5-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-1-ethyl-1H-pyrazole

IUPAC name

5-[1-(25-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-1-ethyl-1H-pyrazole

SMILES

CCn1nccc1C(CCC1)N1S(c(cc(cc1)OC)c1OC)(=O)=O

InChI

InChI=1S/C17H23N3O4S/c1-4-19-14(9-10-18-19)15-6-5-11-20(15)25(21,22)17-12-13(23-2)7-8-16(17)24-3/h7-10,12,15H,4-6,11H2,1-3H3/t15-/m0/s1

InChI Key

KCMIYDJFDXSSJB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27583637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.779

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-2.46

Polar Surface Area

60.778

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

D399-0422 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D399-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-0422?
Check Price and Availability of D399-0422, 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 D399-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-0422
  • 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 D399-0422 available by request