J042-0361 Screening compound: ethyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate

J042-0361 Screening compound: ethyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate
J042-0361 Screening compound: ethyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0361
ethyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]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

J042-0361

Molecular Formula

C27H26N2O4 (C27 H26 N2 O4)

Compound Name

ethyl 4-[1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate

IUPAC name

ethyl 4-[1-(3-methylbenzoyl)-1234-tetrahydroquinoline-6-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cc(CCC2)c1N2C(c1cc(C)ccc1)=O)=O)=O

InChI

InChI=1S/C27H26N2O4/c1-3-33-27(32)19-9-12-23(13-10-19)28-25(30)21-11-14-24-20(17-21)8-5-15-29(24)26(31)22-7-4-6-18(2)16-22/h4,6-7,9-14,16-17H,3,5,8,15H2,1-2H3,(H,28,30)

InChI Key

MPWDLKOPQYBDCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.233

Distribution Coefficient, logD

5.216

Water Solubility, LogSw

-5.00

Polar Surface Area

59.396

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J042-0361 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with J042-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0361?
Check Price and Availability of J042-0361, 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 J042-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0361
  • 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 J042-0361 available by request