1231-0063 Screening compound: 5-[4-(decyloxy)phenyl]-3-[(1E)-2-[4-(decyloxy)phenyl]ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole

1231-0063 Screening compound: 5-[4-(decyloxy)phenyl]-3-[(1E)-2-[4-(decyloxy)phenyl]ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole
1231-0063 Screening compound: 5-[4-(decyloxy)phenyl]-3-[(1E)-2-[4-(decyloxy)phenyl]ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1231-0063
5-[4-(decyloxy)phenyl]-3-[(1E)-2-[4-(decyloxy)phenyl]ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole

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

1231-0063

Molecular Formula

C43H60N2O2 (C43 H60 N2 O2)

Compound Name

5-[4-(decyloxy)phenyl]-3-[(1E)-2-[4-(decyloxy)phenyl]ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole

IUPAC name

5-[4-(decyloxy)phenyl]-3-[(1E)-2-[4-(decyloxy)phenyl]ethenyl]-1-phenyl-45-dihydro-1H-pyrazole

SMILES

CCCCCCCCCCOc1ccc(C(C2)N(c3ccccc3)N=C2/C=C/c(cc2)ccc2OCCCCCCCCCC)cc1

InChI

InChI=1S/C43H60N2O2/c1-3-5-7-9-11-13-15-20-34-46-41-30-25-37(26-31-41)24-29-39-36-43(45(44-39)40-22-18-17-19-23-40)38-27-32-42(33-28-38)47-35-21-16-14-12-10-8-6-4-2/h17-19,22-33,43H,3-16,20-21,34-36H2,1-2H3/t43-/m1/s1

InChI Key

SXVDNBFXHFXGMH-VZUYHUTRSA-N

MDL Number (MFCD)

MFCD00807497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

636.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

24.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

15.165

Distribution Coefficient, logD

15.165

Water Solubility, LogSw

-5.99

Polar Surface Area

28.658

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.20

1231-0063 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1231-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1231-0063?
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What is the minimum amount of 1231-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1231-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1231-0063
  • 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 1231-0063 available by request