0711-0189 Screening compound: 3,4'-dimethyl-[1,1'-biphenyl]-4-yl 4-butoxybenzoate

0711-0189 Screening compound: 3,4'-dimethyl-[1,1'-biphenyl]-4-yl 4-butoxybenzoate
0711-0189 Screening compound: 3,4'-dimethyl-[1,1'-biphenyl]-4-yl 4-butoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0189
3,4'-dimethyl-[1,1'-biphenyl]-4-yl 4-butoxybenzoate

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

0711-0189

Molecular Formula

C25H26O3 (C25 H26 O3)

Compound Name

3,4'-dimethyl-[1,1'-biphenyl]-4-yl 4-butoxybenzoate

IUPAC name

34'-dimethyl-[11'-biphenyl]-4-yl 4-butoxybenzoate

SMILES

CCCCOc(cc1)ccc1C(Oc(cc1)c(C)cc1-c1ccc(C)cc1)=O

InChI

InChI=1S/C25H26O3/c1-4-5-16-27-23-13-10-21(11-14-23)25(26)28-24-15-12-22(17-19(24)3)20-8-6-18(2)7-9-20/h6-15,17H,4-5,16H2,1-3H3

InChI Key

WKNVQVYSRAWOON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00344177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.310

Distribution Coefficient, logD

7.310

Water Solubility, LogSw

-5.71

Polar Surface Area

27.849

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

0711-0189 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0711-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0189?
Check Price and Availability of 0711-0189, 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 0711-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0189
  • 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 0711-0189 available by request