C263-0105 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-methylpropanoate

C263-0105 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-methylpropanoate
C263-0105 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-methylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0105
1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-methylpropanoate

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

C263-0105

Molecular Formula

C19H26N2O4S (C19 H26 N2 O4 S)

Compound Name

1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-methylpropanoate

IUPAC name

1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-methylpropanoate

SMILES

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

InChI

InChI=1S/C19H26N2O4S/c1-12(2)18(22)25-17-16(14(4)20-21(17)19(5,6)7)26(23,24)15-10-8-13(3)9-11-15/h8-12H,1-7H3

InChI Key

HOAYANMVUVZTPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.605

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-3.82

Polar Surface Area

65.289

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

C263-0105 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C263-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0105?
Check Price and Availability of C263-0105, 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 C263-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0105
  • 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 C263-0105 available by request