J042-0541 Screening compound: methyl 2-[1-(3-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate

J042-0541 Screening compound: methyl 2-[1-(3-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate
J042-0541 Screening compound: methyl 2-[1-(3-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0541
methyl 2-[1-(3-chlorobenzoyl)-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

J042-0541

Molecular Formula

C25H21ClN2O4 (C25 H21 ClN2 O4)

Compound Name

methyl 2-[1-(3-chlorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-amido]benzoate

IUPAC name

methyl 2-[1-(3-chlorobenzoyl)-1234-tetrahydroquinoline-6-amido]benzoate

SMILES

COC(c(cccc1)c1NC(c(cc1)cc(CCC2)c1N2C(c1cccc(Cl)c1)=O)=O)=O

InChI

InChI=1S/C25H21ClN2O4/c1-32-25(31)20-9-2-3-10-21(20)27-23(29)17-11-12-22-16(14-17)7-5-13-28(22)24(30)18-6-4-8-19(26)15-18/h2-4,6,8-12,14-15H,5,7,13H2,1H3,(H,27,29)

InChI Key

SZQMTCFEMHWVFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.847

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.74

Polar Surface Area

59.118

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

J042-0541 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 J042-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0541?
Check Price and Availability of J042-0541, 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 J042-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0541
  • 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 J042-0541 available by request