C199-0124 Screening compound: 7-[(2-cyclohexanecarbonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]-4-methyl-2H-chromen-2-one

C199-0124 Screening compound: 7-[(2-cyclohexanecarbonyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]-4-methyl-2H-chromen-2-one
C199-0124 Screening compound: 7-[(2-cyclohexanecarbonyl-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 C199-0124
7-[(2-cyclohexanecarbonyl-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

C199-0124

Molecular Formula

C29H33NO6 (C29 H33 NO6)

Compound Name

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

IUPAC name

7-[(2-cyclohexanecarbonyl-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl)methoxy]-4-methyl-2H-chromen-2-one

SMILES

CC(c(ccc(OCC(c(cc1OC)c(CC2)cc1OC)N2C(C1CCCCC1)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C29H33NO6/c1-18-13-28(31)36-25-15-21(9-10-22(18)25)35-17-24-23-16-27(34-3)26(33-2)14-20(23)11-12-30(24)29(32)19-7-5-4-6-8-19/h9-10,13-16,19,24H,4-8,11-12,17H2,1-3H3/t24-/m0/s1

InChI Key

HYXGIGVZSVPNGR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04414560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.58

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

4.437

Distribution Coefficient, logD

4.437

Water Solubility, LogSw

-4.43

Polar Surface Area

59.173

Acid Dissociation Constant (pKa)

23.08

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

C199-0124 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C199-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C199-0124?
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What is the minimum amount of C199-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C199-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C199-0124
  • 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 C199-0124 available by request