C263-0060 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(trifluoromethyl)benzoate

C263-0060 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(trifluoromethyl)benzoate
C263-0060 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(trifluoromethyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0060
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(trifluoromethyl)benzoate

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

C263-0060

Molecular Formula

C22H21F3N2O4S (C22 H21 F3 N2 O4 S)

Compound Name

4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(trifluoromethyl)benzoate

IUPAC name

4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(trifluoromethyl)benzoate

SMILES

CC(C)(C)n1nc(C)c(S(c2ccccc2)(=O)=O)c1OC(c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C22H21F3N2O4S/c1-14-18(32(29,30)17-11-6-5-7-12-17)19(27(26-14)21(2,3)4)31-20(28)15-9-8-10-16(13-15)22(23,24)25/h5-13H,1-4H3

InChI Key

FQGIRBGXMWSWBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.48

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

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.46

Polar Surface Area

65.018

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C263-0060 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C263-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0060?
Check Price and Availability of C263-0060, 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 C263-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0060
  • 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 C263-0060 available by request