1216-0019 Screening compound: propyl 6-{4'-nonyl-[1,1'-biphenyl]-4-yl}hexanoate

1216-0019 Screening compound: propyl 6-{4'-nonyl-[1,1'-biphenyl]-4-yl}hexanoate
1216-0019 Screening compound: propyl 6-{4'-nonyl-[1,1'-biphenyl]-4-yl}hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0019
propyl 6-{4'-nonyl-[1,1'-biphenyl]-4-yl}hexanoate

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

1216-0019

Molecular Formula

C30H44O2 (C30 H44 O2)

Compound Name

propyl 6-{4'-nonyl-[1,1'-biphenyl]-4-yl}hexanoate

IUPAC name

propyl 6-{4'-nonyl-[11'-biphenyl]-4-yl}hexanoate

SMILES

CCCCCCCCCc(cc1)ccc1-c1ccc(CCCCCC(OCCC)=O)cc1

InChI

InChI=1S/C30H44O2/c1-3-5-6-7-8-9-11-14-26-17-21-28(22-18-26)29-23-19-27(20-24-29)15-12-10-13-16-30(31)32-25-4-2/h17-24H,3-16,25H2,1-2H3

InChI Key

XOORPHAAJDRAII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01244930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

10.834

Distribution Coefficient, logD

10.834

Water Solubility, LogSw

-5.83

Polar Surface Area

20.420

Acid Dissociation Constant (pKa)

24.09

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.70

1216-0019 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCL1 Targeted Library (12200 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 1216-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0019?
Check Price and Availability of 1216-0019, 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 1216-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0019
  • 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 1216-0019 available by request