C050-0319 Screening compound: 5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate

C050-0319 Screening compound: 5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
C050-0319 Screening compound: 5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0319
5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate

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

C050-0319

Molecular Formula

C19H18FN3O7S (C19 H18 FN3 O7 S)

Compound Name

5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate

IUPAC name

5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 345-trimethoxybenzoate

SMILES

COc1cc(C(Oc(cc2N)nn2S(c(cc2)ccc2F)(=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H18FN3O7S/c1-27-14-8-11(9-15(28-2)18(14)29-3)19(24)30-17-10-16(21)23(22-17)31(25,26)13-6-4-12(20)5-7-13/h4-10H,21H2,1-3H3

InChI Key

ZJOKTZVLFABJFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.806

Distribution Coefficient, logD

1.806

Water Solubility, LogSw

-2.75

Polar Surface Area

103.723

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C050-0319 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C050-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0319?
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What is the minimum amount of C050-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0319
  • 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 C050-0319 available by request