0777-5008 Screening compound: 2-[4-(heptyloxy)phenyl]methyl 6-propan-2-yl pyridine-2,6-dicarboxylate

0777-5008 Screening compound: 2-[4-(heptyloxy)phenyl]methyl 6-propan-2-yl pyridine-2,6-dicarboxylate
0777-5008 Screening compound: 2-[4-(heptyloxy)phenyl]methyl 6-propan-2-yl pyridine-2,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-5008
2-[4-(heptyloxy)phenyl]methyl 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

0777-5008

Molecular Formula

C24H31NO5 (C24 H31 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCOc1ccc(COC(c2cccc(C(OC(C)C)=O)n2)=O)cc1

InChI

InChI=1S/C24H31NO5/c1-4-5-6-7-8-16-28-20-14-12-19(13-15-20)17-29-23(26)21-10-9-11-22(25-21)24(27)30-18(2)3/h9-15,18H,4-8,16-17H2,1-3H3

InChI Key

RQVKXRRUFOKNPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.386

Distribution Coefficient, logD

6.386

Water Solubility, LogSw

-5.43

Polar Surface Area

57.562

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with 0777-5008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-5008?
Check Price and Availability of 0777-5008, 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 0777-5008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-5008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-5008
  • 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 0777-5008 available by request