C263-0089 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-phenylbutanoate

C263-0089 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-phenylbutanoate
C263-0089 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-phenylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0089
1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-phenylbutanoate

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

C263-0089

Molecular Formula

C25H30N2O4S (C25 H30 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Oc(n(C(C)(C)C)nc1C)c1S(c1ccc(C)cc1)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C25H30N2O4S/c1-7-21(19-11-9-8-10-12-19)24(28)31-23-22(18(3)26-27(23)25(4,5)6)32(29,30)20-15-13-17(2)14-16-20/h8-16,21H,7H2,1-6H3/t21-/m1/s1

InChI Key

GENJDXZYPOBQGY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04461991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.100

Water Solubility, LogSw

-4.90

Polar Surface Area

65.018

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

C263-0089 in Drug Discovery

Included in Screening Libraries

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 C263-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0089?
Check Price and Availability of C263-0089, 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 C263-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0089
  • 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 C263-0089 available by request