1216-0084 Screening compound: 2-CYANOETHYL 4'-PENTYL-[1,1'-BIPHENYL]-4-CARBOXYLATE

1216-0084 Screening compound: 2-CYANOETHYL 4'-PENTYL-[1,1'-BIPHENYL]-4-CARBOXYLATE
1216-0084 Screening compound: 2-CYANOETHYL 4'-PENTYL-[1,1'-BIPHENYL]-4-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1216-0084
2-CYANOETHYL 4'-PENTYL-[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

1216-0084

Molecular Formula

C21H23NO2 (C21 H23 NO2)

Compound Name

2-CYANOETHYL 4'-PENTYL-[1,1'-BIPHENYL]-4-CARBOXYLATE

IUPAC name

n/a

SMILES

CCCCCc(cc1)ccc1-c(cc1)ccc1C(OCCC#N)=O

InChI

InChI=1S/C21H23NO2/c1-2-3-4-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(23)24-16-5-15-22/h7-14H,2-6,16H2,1H3

InChI Key

YRJJOPMRYGKASF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.195

Distribution Coefficient, logD

6.195

Water Solubility, LogSw

-5.34

Polar Surface Area

38.506

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1216-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1216-0084?
Check Price and Availability of 1216-0084, 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 1216-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1216-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1216-0084
  • 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 1216-0084 available by request