0777-4195 Screening compound: 4-(methoxycarbonyl)phenyl 4-(5-ethylpyridin-2-yl)benzoate

0777-4195 Screening compound: 4-(methoxycarbonyl)phenyl 4-(5-ethylpyridin-2-yl)benzoate
0777-4195 Screening compound: 4-(methoxycarbonyl)phenyl 4-(5-ethylpyridin-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0777-4195
4-(methoxycarbonyl)phenyl 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

0777-4195

Molecular Formula

C22H19NO4 (C22 H19 NO4)

Compound Name

4-(methoxycarbonyl)phenyl 4-(5-ethylpyridin-2-yl)benzoate

IUPAC name

4-(methoxycarbonyl)phenyl 4-(5-ethylpyridin-2-yl)benzoate

SMILES

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

InChI

InChI=1S/C22H19NO4/c1-3-15-4-13-20(23-14-15)16-5-7-18(8-6-16)22(25)27-19-11-9-17(10-12-19)21(24)26-2/h4-14H,3H2,1-2H3

InChI Key

MOPCUPHPFGZORV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-4.55

Polar Surface Area

50.656

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

0777-4195 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0777-4195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0777-4195?
Check Price and Availability of 0777-4195, 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 0777-4195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0777-4195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0777-4195
  • 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 0777-4195 available by request