C050-0380 Screening compound: 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 1-naphthoate

C050-0380 Screening compound: 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 1-naphthoate
C050-0380 Screening compound: 5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 1-naphthoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0380
5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 1-naphthoate

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

C050-0380

Molecular Formula

C21H17N3O5S (C21 H17 N3 O5 S)

Compound Name

5-amino-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl 1-naphthoate

IUPAC name

n/a

SMILES

COc(cc1)ccc1S(n(c(N)c1)nc1OC(c1cccc2ccccc12)=O)(=O)=O

InChI

InChI=1S/C21H17N3O5S/c1-28-15-9-11-16(12-10-15)30(26,27)24-19(22)13-20(23-24)29-21(25)18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,22H2,1H3

InChI Key

ALTYHSZMMHYEAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

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

3.446

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.90

Polar Surface Area

88.017

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C050-0380 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C050-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0380?
Check Price and Availability of C050-0380, 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 C050-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0380
  • 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 C050-0380 available by request