0777-4186 Screening compound: 4-bromophenyl 4-(5-ethylpyridin-2-yl)benzoate

0777-4186 Screening compound: 4-bromophenyl 4-(5-ethylpyridin-2-yl)benzoate
0777-4186 Screening compound: 4-bromophenyl 4-(5-ethylpyridin-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4186
4-bromophenyl 4-(5-ethylpyridin-2-yl)benzoate

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

0777-4186

Molecular Formula

C20H16BrNO2 (C20 H16 BrNO2)

Compound Name

4-bromophenyl 4-(5-ethylpyridin-2-yl)benzoate

IUPAC name

4-bromophenyl 4-(5-ethylpyridin-2-yl)benzoate

SMILES

CCc(cc1)cnc1-c(cc1)ccc1C(Oc(cc1)ccc1Br)=O

InChI

InChI=1S/C20H16BrNO2/c1-2-14-3-12-19(22-13-14)15-4-6-16(7-5-15)20(23)24-18-10-8-17(21)9-11-18/h3-13H,2H2,1H3

InChI Key

JQRCXXNICYWLTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.793

Distribution Coefficient, logD

5.777

Water Solubility, LogSw

-5.44

Polar Surface Area

29.482

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0777-4186 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0777-4186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4186?
Check Price and Availability of 0777-4186, 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 0777-4186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4186
  • 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 0777-4186 available by request