0777-4680 Screening compound: 2-[4-(heptyloxy)phenyl] 6-methyl pyridine-2,6-dicarboxylate

0777-4680 Screening compound: 2-[4-(heptyloxy)phenyl] 6-methyl pyridine-2,6-dicarboxylate
0777-4680 Screening compound: 2-[4-(heptyloxy)phenyl] 6-methyl pyridine-2,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4680
2-[4-(heptyloxy)phenyl] 6-methyl 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

0777-4680

Molecular Formula

C21H25NO5 (C21 H25 NO5)

Compound Name

2-[4-(heptyloxy)phenyl] 6-methyl pyridine-2,6-dicarboxylate

IUPAC name

2-[4-(heptyloxy)phenyl] 6-methyl pyridine-26-dicarboxylate

SMILES

CCCCCCCOc(cc1)ccc1OC(c1nc(C(OC)=O)ccc1)=O

InChI

InChI=1S/C21H25NO5/c1-3-4-5-6-7-15-26-16-11-13-17(14-12-16)27-21(24)19-10-8-9-18(22-19)20(23)25-2/h8-14H,3-7,15H2,1-2H3

InChI Key

MGSXVJDYPNSKBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.476

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.28

Polar Surface Area

57.824

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

0777-4680 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0777-4680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4680?
Check Price and Availability of 0777-4680, 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 0777-4680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4680
  • 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 0777-4680 available by request