0076-0007 Screening compound: heptyl 4'-{4-[(heptyloxy)carbonyl]phenyl}-[1,1'-biphenyl]-4-carboxylate

0076-0007 Screening compound: heptyl 4'-{4-[(heptyloxy)carbonyl]phenyl}-[1,1'-biphenyl]-4-carboxylate
0076-0007 Screening compound: heptyl 4'-{4-[(heptyloxy)carbonyl]phenyl}-[1,1'-biphenyl]-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0076-0007
heptyl 4'-{4-[(heptyloxy)carbonyl]phenyl}-[1,1'-biphenyl]-4-carboxylate

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

0076-0007

Molecular Formula

C34H42O4 (C34 H42 O4)

Compound Name

heptyl 4'-{4-[(heptyloxy)carbonyl]phenyl}-[1,1'-biphenyl]-4-carboxylate

IUPAC name

heptyl 4'-{4-[(heptyloxy)carbonyl]phenyl}-[11'-biphenyl]-4-carboxylate

SMILES

CCCCCCCOC(c(cc1)ccc1-c(cc1)ccc1-c(cc1)ccc1C(OCCCCCCC)=O)=O

InChI

InChI=1S/C34H42O4/c1-3-5-7-9-11-25-37-33(35)31-21-17-29(18-22-31)27-13-15-28(16-14-27)30-19-23-32(24-20-30)34(36)38-26-12-10-8-6-4-2/h13-24H,3-12,25-26H2,1-2H3

InChI Key

PMZHBROHUQOAFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

12.094

Distribution Coefficient, logD

12.094

Water Solubility, LogSw

-6.01

Polar Surface Area

41.791

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

0076-0007 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0076-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0076-0007?
Check Price and Availability of 0076-0007, 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 0076-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0076-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0076-0007
  • 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 0076-0007 available by request