D718-0802 Screening compound: 6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid

D718-0802 Screening compound: 6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
D718-0802 Screening compound: 6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0802
6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid

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

D718-0802

Molecular Formula

C15H21NO3 (C15 H21 NO3)

Compound Name

6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid

IUPAC name

6-ethoxy-224-trimethyl-1234-tetrahydroquinoline-8-carboxylic acid

SMILES

CCOc1cc(C(O)=O)c2NC(C)(C)CC(C)c2c1

InChI

InChI=1S/C15H21NO3/c1-5-19-10-6-11-9(2)8-15(3,4)16-13(11)12(7-10)14(17)18/h6-7,9,16H,5,8H2,1-4H3,(H,17,18)/t9-/m1/s1

InChI Key

ZARXSALIXWYPRI-SECBINFHSA-N

MDL Number (MFCD)

MFCD09463391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

0.712

Water Solubility, LogSw

-3.07

Polar Surface Area

44.717

Acid Dissociation Constant (pKa)

5.26

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

D718-0802 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D718-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0802?
Check Price and Availability of D718-0802, 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 D718-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0802
  • 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 D718-0802 available by request