P174-0067 Screening compound: ethyl 4-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamido]benzoate

P174-0067 Screening compound: ethyl 4-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamido]benzoate
P174-0067 Screening compound: ethyl 4-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P174-0067
ethyl 4-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamido]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

P174-0067

Molecular Formula

C17H17N3O5S (C17 H17 N3 O5 S)

Compound Name

ethyl 4-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamido]benzoate

IUPAC name

ethyl 4-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamido]benzoate

SMILES

CCOC(c(cc1)ccc1NS(c1c(C)oc(-c2ccn[nH]2)c1)(=O)=O)=O

InChI

InChI=1S/C17H17N3O5S/c1-3-24-17(21)12-4-6-13(7-5-12)20-26(22,23)16-10-15(25-11(16)2)14-8-9-18-19-14/h4-10,20H,3H2,1-2H3,(H,18,19)

InChI Key

IBDQIQSVTKBRHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-3.38

Polar Surface Area

93.297

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

P174-0067 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P174-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P174-0067?
Check Price and Availability of P174-0067, 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 P174-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P174-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P174-0067
  • 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 P174-0067 available by request