C050-0354 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate

C050-0354 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate
C050-0354 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0354
5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 4-nitrobenzoate

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

C050-0354

Molecular Formula

C17H14N4O7S (C17 H14 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(n(c(N)c1)nc1OC(c(cc1)ccc1[N+]([O-])=O)=O)(=O)=O

InChI

InChI=1S/C17H14N4O7S/c1-27-13-6-8-14(9-7-13)29(25,26)20-15(18)10-16(19-20)28-17(22)11-2-4-12(5-3-11)21(23)24/h2-10H,18H2,1H3

InChI Key

RIEZQJWJACOJAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.93

Polar Surface Area

121.670

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with C050-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0354?
Check Price and Availability of C050-0354, 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 C050-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0354
  • 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 C050-0354 available by request