F312-0085 Screening compound: 8-ethoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one

F312-0085 Screening compound: 8-ethoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one
F312-0085 Screening compound: 8-ethoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F312-0085
8-ethoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one

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

F312-0085

Molecular Formula

C20H19NO5S (C20 H19 NO5 S)

Compound Name

8-ethoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one

IUPAC name

8-ethoxy-3-(1234-tetrahydroisoquinoline-2-sulfonyl)-2H-chromen-2-one

SMILES

CCOc1cccc(C=C2S(N(CC3)Cc4c3cccc4)(=O)=O)c1OC2=O

InChI

InChI=1S/C20H19NO5S/c1-2-25-17-9-5-8-15-12-18(20(22)26-19(15)17)27(23,24)21-11-10-14-6-3-4-7-16(14)13-21/h3-9,12H,2,10-11,13H2,1H3

InChI Key

RXKXVLIZYHNVPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.74

Polar Surface Area

59.427

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F312-0085 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F312-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F312-0085?
Check Price and Availability of F312-0085, 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 F312-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F312-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F312-0085
  • 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 F312-0085 available by request