C050-0461 Screening compound: 5-amino-1-methanesulfonyl-1H-pyrazol-3-yl 4-ethoxybenzoate

C050-0461 Screening compound: 5-amino-1-methanesulfonyl-1H-pyrazol-3-yl 4-ethoxybenzoate
C050-0461 Screening compound: 5-amino-1-methanesulfonyl-1H-pyrazol-3-yl 4-ethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0461
5-amino-1-methanesulfonyl-1H-pyrazol-3-yl 4-ethoxybenzoate

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

C050-0461

Molecular Formula

C13H15N3O5S (C13 H15 N3 O5 S)

Compound Name

5-amino-1-methanesulfonyl-1H-pyrazol-3-yl 4-ethoxybenzoate

IUPAC name

5-amino-1-methanesulfonyl-1H-pyrazol-3-yl 4-ethoxybenzoate

SMILES

CCOc(cc1)ccc1C(Oc(cc1N)nn1S(C)(=O)=O)=O

InChI

InChI=1S/C13H15N3O5S/c1-3-20-10-6-4-9(5-7-10)13(17)21-12-8-11(14)16(15-12)22(2,18)19/h4-8H,3,14H2,1-2H3

InChI Key

SMFAVBHKCVTXCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.35

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

1.078

Distribution Coefficient, logD

1.078

Water Solubility, LogSw

-2.43

Polar Surface Area

87.633

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C050-0461 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C050-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0461?
Check Price and Availability of C050-0461, 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 C050-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0461
  • 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 C050-0461 available by request