0777-4828 Screening compound: 2,5-bis(4-pentylphenyl) pyridine-2,5-dicarboxylate

0777-4828 Screening compound: 2,5-bis(4-pentylphenyl) pyridine-2,5-dicarboxylate
0777-4828 Screening compound: 2,5-bis(4-pentylphenyl) pyridine-2,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4828
2,5-bis(4-pentylphenyl) pyridine-2,5-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

0777-4828

Molecular Formula

C29H33NO4 (C29 H33 NO4)

Compound Name

2,5-bis(4-pentylphenyl) pyridine-2,5-dicarboxylate

IUPAC name

25-bis(4-pentylphenyl) pyridine-25-dicarboxylate

SMILES

CCCCCc(cc1)ccc1OC(c(cc1)cnc1C(Oc1ccc(CCCCC)cc1)=O)=O

InChI

InChI=1S/C29H33NO4/c1-3-5-7-9-22-11-16-25(17-12-22)33-28(31)24-15-20-27(30-21-24)29(32)34-26-18-13-23(14-19-26)10-8-6-4-2/h11-21H,3-10H2,1-2H3

InChI Key

ZTXLLOWKCBMABN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.690

Distribution Coefficient, logD

8.690

Water Solubility, LogSw

-5.70

Polar Surface Area

50.132

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

0777-4828 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 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:
  • 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 0777-4828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4828?
Check Price and Availability of 0777-4828, 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 0777-4828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4828
  • 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 0777-4828 available by request