C199-0101 Screening compound: 7-{[2-(3-cyclopentylpropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

C199-0101 Screening compound: 7-{[2-(3-cyclopentylpropanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one
C199-0101 Screening compound: 7-{[2-(3-cyclopentylpropanoyl)-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 C199-0101
7-{[2-(3-cyclopentylpropanoyl)-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

C199-0101

Molecular Formula

C30H35NO6 (C30 H35 NO6)

Compound Name

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

IUPAC name

7-{[2-(3-cyclopentylpropanoyl)-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl]methoxy}-4-methyl-2H-chromen-2-one

SMILES

CC(c(ccc(OCC(c(cc1OC)c(CC2)cc1OC)N2C(CCC1CCCC1)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C30H35NO6/c1-19-14-30(33)37-26-16-22(9-10-23(19)26)36-18-25-24-17-28(35-3)27(34-2)15-21(24)12-13-31(25)29(32)11-8-20-6-4-5-7-20/h9-10,14-17,20,25H,4-8,11-13,18H2,1-3H3/t25-/m0/s1

InChI Key

RKHZRKPQCKMUSJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04414564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.46

Polar Surface Area

59.012

Acid Dissociation Constant (pKa)

24.01

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

C199-0101 in Drug Discovery

Included in Screening Libraries

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 C199-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C199-0101?
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What is the minimum amount of C199-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C199-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C199-0101
  • 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 C199-0101 available by request