0606-5917 Screening compound: 2,6-bis[4-(4-pentylcyclohexyl)phenyl] pyridine-2,6-dicarboxylate

0606-5917 Screening compound: 2,6-bis[4-(4-pentylcyclohexyl)phenyl] pyridine-2,6-dicarboxylate
0606-5917 Screening compound: 2,6-bis[4-(4-pentylcyclohexyl)phenyl] pyridine-2,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0606-5917
2,6-bis[4-(4-pentylcyclohexyl)phenyl] pyridine-2,6-dicarboxylate

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

0606-5917

Molecular Formula

C41H53NO4 (C41 H53 NO4)

Compound Name

2,6-bis[4-(4-pentylcyclohexyl)phenyl] pyridine-2,6-dicarboxylate

IUPAC name

26-bis[4-(4-pentylcyclohexyl)phenyl] pyridine-26-dicarboxylate

SMILES

CCCCCC(CC1)CCC1c(cc1)ccc1OC(c1cccc(C(Oc2ccc(C3CCC(CCCCC)CC3)cc2)=O)n1)=O

InChI

InChI=1S/C41H53NO4/c1-3-5-7-10-30-14-18-32(19-15-30)34-22-26-36(27-23-34)45-40(43)38-12-9-13-39(42-38)41(44)46-37-28-24-35(25-29-37)33-20-16-31(17-21-33)11-8-6-4-2/h9,12-13,22-33H,3-8,10-11,14-21H2,1-2H3

InChI Key

DMIYDEJCSLGLSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

13.786

Distribution Coefficient, logD

13.786

Water Solubility, LogSw

-5.90

Polar Surface Area

49.451

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.70

0606-5917 in Drug Discovery

Included in Screening Libraries

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

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 0606-5917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0606-5917?
Check Price and Availability of 0606-5917, 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 0606-5917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0606-5917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0606-5917
  • 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 0606-5917 available by request