1216-0100 Screening compound: 8-propyltricyclo[4.4.0.0~3,8~]dec-1-yl 4'-octylbiphenyl-4-carboxylate

1216-0100 Screening compound: 8-propyltricyclo[4.4.0.0~3,8~]dec-1-yl 4'-octylbiphenyl-4-carboxylate
1216-0100 Screening compound: 8-propyltricyclo[4.4.0.0~3,8~]dec-1-yl 4'-octylbiphenyl-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0100
8-propyltricyclo[4.4.0.0~3,8~]dec-1-yl 4'-octylbiphenyl-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

1216-0100

Molecular Formula

C34H46O2 (C34 H46 O2)

Compound Name

8-propyltricyclo[4.4.0.0~3,8~]dec-1-yl 4'-octylbiphenyl-4-carboxylate

IUPAC name

8-propyltricyclo[4.4.0.0^{38}]decan-1-yl 4'-octyl-[11'-biphenyl]-4-carboxylate

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1C(OC1(CC2)C(CC3)CC2(CCC)C3C1)=O

InChI

InChI=1S/C34H46O2/c1-3-5-6-7-8-9-10-26-11-13-27(14-12-26)28-15-17-29(18-16-28)32(35)36-34-23-22-33(21-4-2)24-31(34)20-19-30(33)25-34/h11-18,30-31H,3-10,19-25H2,1-2H3

InChI Key

GVTKTPNIMIYERR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01003075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

11.139

Distribution Coefficient, logD

11.139

Water Solubility, LogSw

-5.92

Polar Surface Area

19.131

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

61.80

1216-0100 in Drug Discovery

Included in Screening Libraries

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

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 1216-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0100?
Check Price and Availability of 1216-0100, 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 1216-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0100
  • 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 1216-0100 available by request