5709-0073 Screening compound: 8-(prop-2-en-1-yl)-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

5709-0073 Screening compound: 8-(prop-2-en-1-yl)-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one
5709-0073 Screening compound: 8-(prop-2-en-1-yl)-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5709-0073
8-(prop-2-en-1-yl)-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

5709-0073

Molecular Formula

C22H19NO3 (C22 H19 NO3)

Compound Name

8-(prop-2-en-1-yl)-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

IUPAC name

8-(prop-2-en-1-yl)-3-(1234-tetrahydroisoquinoline-2-carbonyl)-2H-chromen-2-one

SMILES

C=CCc1cccc(C=C2C(N(CC3)Cc4c3cccc4)=O)c1OC2=O

InChI

InChI=1S/C22H19NO3/c1-2-6-16-9-5-10-17-13-19(22(25)26-20(16)17)21(24)23-12-11-15-7-3-4-8-18(15)14-23/h2-5,7-10,13H,1,6,11-12,14H2

InChI Key

QANYGUWIOWQNOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02585104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.38

Polar Surface Area

37.155

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5709-0073 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5709-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5709-0073?
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What is the minimum amount of 5709-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5709-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5709-0073
  • 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 5709-0073 available by request