4312-1596 Screening compound: 6-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

4312-1596 Screening compound: 6-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one
4312-1596 Screening compound: 6-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4312-1596
6-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-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

4312-1596

Molecular Formula

C20H17NO4 (C20 H17 NO4)

Compound Name

6-methoxy-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

IUPAC name

6-methoxy-3-(1234-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

SMILES

COc(cc1)cc(C=C2C(N(CC3)Cc4c3cccc4)=O)c1OC2=O

InChI

InChI=1S/C20H17NO4/c1-24-16-6-7-18-15(10-16)11-17(20(23)25-18)19(22)21-9-8-13-4-2-3-5-14(13)12-21/h2-7,10-11H,8-9,12H2,1H3

InChI Key

VJGMNDVRUXFTTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02585126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.40

Polar Surface Area

45.014

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4312-1596 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4312-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4312-1596?
Check Price and Availability of 4312-1596, 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 4312-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4312-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4312-1596
  • 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 4312-1596 available by request