C263-0078 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C263-0078 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
C263-0078 Screening compound: 4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0078
4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

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

C263-0078

Molecular Formula

C25H24ClN3O5S (C25 H24 ClN3 O5 S)

Compound Name

4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

IUPAC name

4-(benzenesulfonyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-yl 3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carboxylate

SMILES

CC(C)(C)n1nc(C)c(S(c2ccccc2)(=O)=O)c1OC(c1c(C)onc1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C25H24ClN3O5S/c1-15-22(35(31,32)17-11-7-6-8-12-17)23(29(27-15)25(3,4)5)33-24(30)20-16(2)34-28-21(20)18-13-9-10-14-19(18)26/h6-14H,1-5H3

InChI Key

GDLBZEWJDJQYCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04461983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.81

Polar Surface Area

86.978

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C263-0078 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Others
Agro:
  • Agro
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with C263-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0078?
Check Price and Availability of C263-0078, 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 C263-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0078
  • 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 C263-0078 available by request