S451-0769 Screening compound: 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide

S451-0769 Screening compound: 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
S451-0769 Screening compound: 3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S451-0769
3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide

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

S451-0769

Molecular Formula

C16H17N5O3S (C16 H17 N5 O3 S)

Compound Name

3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide

IUPAC name

3-(1H-pyrrol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide

SMILES

NS(c1ccc(CCNC(c2cc(-c3ccc[nH]3)n[nH]2)=O)cc1)(=O)=O

InChI

InChI=1S/C16H17N5O3S/c17-25(23,24)12-5-3-11(4-6-12)7-9-19-16(22)15-10-14(20-21-15)13-2-1-8-18-13/h1-6,8,10,18H,7,9H2,(H,19,22)(H,20,21)(H2,17,23,24)

InChI Key

KYHKWHVLFZJGTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.785

Distribution Coefficient, logD

0.784

Water Solubility, LogSw

-2.33

Polar Surface Area

107.652

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with S451-0769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S451-0769?
Check Price and Availability of S451-0769, 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 S451-0769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S451-0769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S451-0769
  • 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 S451-0769 available by request