C050-0346 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 2-methylbenzoate

C050-0346 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 2-methylbenzoate
C050-0346 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 2-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0346
5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 2-methylbenzoate

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

C050-0346

Molecular Formula

C18H17N3O5S (C18 H17 N3 O5 S)

Compound Name

5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 2-methylbenzoate

IUPAC name

5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 2-methylbenzoate

SMILES

Cc(cccc1)c1C(Oc(cc1N)nn1S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C18H17N3O5S/c1-12-5-3-4-6-15(12)18(22)26-17-11-16(19)21(20-17)27(23,24)14-9-7-13(25-2)8-10-14/h3-11H,19H2,1-2H3

InChI Key

XKLMTNNTVUNKMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-3.57

Polar Surface Area

88.289

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C050-0346 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C050-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0346?
Check Price and Availability of C050-0346, 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 C050-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0346
  • 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 C050-0346 available by request