1716-1842 Screening compound: propan-2-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1842 Screening compound: propan-2-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1842 Screening compound: propan-2-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1842
propan-2-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

1716-1842

Molecular Formula

C23H29NO4 (C23 H29 NO4)

Compound Name

propan-2-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c(cccc2)c2OC(C)C)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C23H29NO4/c1-13(2)27-19-12-7-6-9-16(19)21-20(23(26)28-14(3)4)15(5)24-17-10-8-11-18(25)22(17)21/h6-7,9,12-14,21,24H,8,10-11H2,1-5H3/t21-/m0/s1

InChI Key

OMTLPFOXLUOKRQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00753260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.437

Distribution Coefficient, logD

0.542

Water Solubility, LogSw

-4.41

Polar Surface Area

51.243

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

1716-1842 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1716-1842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1842?
Check Price and Availability of 1716-1842, 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 1716-1842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1842
  • 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 1716-1842 available by request