2191-2785 Screening compound: 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2191-2785 Screening compound: 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2191-2785 Screening compound: 2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2191-2785
2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-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

2191-2785

Molecular Formula

C25H27NO4S (C25 H27 NO4 S)

Compound Name

2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenoxyethyl 277-trimethyl-5-oxo-4-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3cccs3)C(OCCOc3ccccc3)=O)=C2C1=O

InChI

InChI=1S/C25H27NO4S/c1-16-21(24(28)30-12-11-29-17-8-5-4-6-9-17)23(20-10-7-13-31-20)22-18(26-16)14-25(2,3)15-19(22)27/h4-10,13,23,26H,11-12,14-15H2,1-3H3/t23-/m0/s1

InChI Key

BYUUJROJTWIHID-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01306174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.519

Distribution Coefficient, logD

0.079

Water Solubility, LogSw

-4.32

Polar Surface Area

53.134

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 2191-2785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2191-2785?
Check Price and Availability of 2191-2785, 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 2191-2785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2191-2785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2191-2785
  • 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 2191-2785 available by request