C263-0094 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate

C263-0094 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate
C263-0094 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0094
1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate

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

C263-0094

Molecular Formula

C20H28N2O4S (C20 H28 N2 O4 S)

Compound Name

1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate

IUPAC name

1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 3-methylbutanoate

SMILES

CC(C)CC(Oc(n(C(C)(C)C)nc1C)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C20H28N2O4S/c1-13(2)12-17(23)26-19-18(15(4)21-22(19)20(5,6)7)27(24,25)16-10-8-14(3)9-11-16/h8-11,13H,12H2,1-7H3

InChI Key

KGEMKXDOJHIBSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.908

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.04

Polar Surface Area

64.694

Acid Dissociation Constant (pKa)

22.74

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C263-0094 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C263-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0094?
Check Price and Availability of C263-0094, 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 C263-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0094
  • 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 C263-0094 available by request