C199-0089 Screening compound: 7-{[2-(3,5-dimethylbenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

C199-0089 Screening compound: 7-{[2-(3,5-dimethylbenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one
C199-0089 Screening compound: 7-{[2-(3,5-dimethylbenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C199-0089
7-{[2-(3,5-dimethylbenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-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

C199-0089

Molecular Formula

C31H31NO6 (C31 H31 NO6)

Compound Name

7-{[2-(3,5-dimethylbenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

IUPAC name

7-{[2-(35-dimethylbenzoyl)-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

SMILES

Cc1cc(C(N(CC2)C(COc(cc3)cc(O4)c3C(C)=CC4=O)c(cc3OC)c2cc3OC)=O)cc(C)c1

InChI

InChI=1S/C31H31NO6/c1-18-10-19(2)12-22(11-18)31(34)32-9-8-21-14-28(35-4)29(36-5)16-25(21)26(32)17-37-23-6-7-24-20(3)13-30(33)38-27(24)15-23/h6-7,10-16,26H,8-9,17H2,1-5H3/t26-/m0/s1

InChI Key

LGCWJVPNSLYOFF-SANMLTNESA-N

MDL Number (MFCD)

MFCD04414536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.822

Distribution Coefficient, logD

4.822

Water Solubility, LogSw

-4.64

Polar Surface Area

58.981

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

C199-0089 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C199-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C199-0089?
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What is the minimum amount of C199-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C199-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C199-0089
  • 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 C199-0089 available by request