3192-2557 Screening compound: 2-phenoxyethyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3192-2557 Screening compound: 2-phenoxyethyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3192-2557 Screening compound: 2-phenoxyethyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3192-2557
2-phenoxyethyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-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

3192-2557

Molecular Formula

C28H31NO5 (C28 H31 NO5)

Compound Name

2-phenoxyethyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenoxyethyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOc1c(C2C(C(CCC3)=O)=C3NC(C)=C2C(OCCOc2ccccc2)=O)cccc1

InChI

InChI=1S/C28H31NO5/c1-3-16-33-24-15-8-7-12-21(24)26-25(19(2)29-22-13-9-14-23(30)27(22)26)28(31)34-18-17-32-20-10-5-4-6-11-20/h4-8,10-12,15,26,29H,3,9,13-14,16-18H2,1-2H3/t26-/m0/s1

InChI Key

SCQDXIBPDZUAJC-SANMLTNESA-N

MDL Number (MFCD)

MFCD01191824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.502

Distribution Coefficient, logD

1.606

Water Solubility, LogSw

-5.41

Polar Surface Area

59.620

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

3192-2557 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3192-2557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3192-2557?
Check Price and Availability of 3192-2557, 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 3192-2557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3192-2557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3192-2557
  • 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 3192-2557 available by request