0777-5036 Screening compound: 2-phenyl 6-propan-2-yl pyridine-2,6-dicarboxylate

0777-5036 Screening compound: 2-phenyl 6-propan-2-yl pyridine-2,6-dicarboxylate
0777-5036 Screening compound: 2-phenyl 6-propan-2-yl pyridine-2,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-5036
2-phenyl 6-propan-2-yl 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

0777-5036

Molecular Formula

C16H15NO4 (C16 H15 NO4)

Compound Name

2-phenyl 6-propan-2-yl pyridine-2,6-dicarboxylate

IUPAC name

2-phenyl 6-propan-2-yl pyridine-26-dicarboxylate

SMILES

CC(C)OC(c1cccc(C(Oc2ccccc2)=O)n1)=O

InChI

InChI=1S/C16H15NO4/c1-11(2)20-15(18)13-9-6-10-14(17-13)16(19)21-12-7-4-3-5-8-12/h3-11H,1-2H3

InChI Key

RKGFHBFBCKZONN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.66

Polar Surface Area

49.665

Acid Dissociation Constant (pKa)

29.53

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

0777-5036 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

CNS Annotated Library (688 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0777-5036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-5036?
Check Price and Availability of 0777-5036, 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 0777-5036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-5036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-5036
  • 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 0777-5036 available by request