1231-0064 Screening compound: 5-[4-(nonyloxy)phenyl]-3-[(1E)-2-[4-(nonyloxy)phenyl]ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole

1231-0064 Screening compound: 5-[4-(nonyloxy)phenyl]-3-[(1E)-2-[4-(nonyloxy)phenyl]ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole
1231-0064 Screening compound: 5-[4-(nonyloxy)phenyl]-3-[(1E)-2-[4-(nonyloxy)phenyl]ethenyl]-1-phenyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1231-0064
5-[4-(nonyloxy)phenyl]-3-[(1E)-2-[4-(nonyloxy)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

1231-0064

Molecular Formula

C41H56N2O2 (C41 H56 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCCOc1ccc(C(C2)N(c3ccccc3)N=C2/C=C/c(cc2)ccc2OCCCCCCCCC)cc1

InChI

InChI=1S/C41H56N2O2/c1-3-5-7-9-11-13-18-32-44-39-28-23-35(24-29-39)22-27-37-34-41(43(42-37)38-20-16-15-17-21-38)36-25-30-40(31-26-36)45-33-19-14-12-10-8-6-4-2/h15-17,20-31,41H,3-14,18-19,32-34H2,1-2H3/t41-/m1/s1

InChI Key

DKCKUDKCFKAYOK-VQJSHJPSSA-N

MDL Number (MFCD)

MFCD00807498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

14.173

Distribution Coefficient, logD

14.173

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

48.80

1231-0064 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 1231-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1231-0064?
Check Price and Availability of 1231-0064, 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 1231-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1231-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1231-0064
  • 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 1231-0064 available by request