C199-0057 Screening compound: 7-({6,7-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-chromen-2-one

C199-0057 Screening compound: 7-({6,7-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-chromen-2-one
C199-0057 Screening compound: 7-({6,7-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C199-0057
7-({6,7-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]-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

C199-0057

Molecular Formula

C31H31NO7 (C31 H31 NO7)

Compound Name

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

IUPAC name

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

SMILES

CC(c(ccc(OCC(c(cc1OC)c(CC2)cc1OC)N2C(Cc(cc1)ccc1OC)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C31H31NO7/c1-19-13-31(34)39-27-16-23(9-10-24(19)27)38-18-26-25-17-29(37-4)28(36-3)15-21(25)11-12-32(26)30(33)14-20-5-7-22(35-2)8-6-20/h5-10,13,15-17,26H,11-12,14,18H2,1-4H3/t26-/m0/s1

InChI Key

QLCRUVNKASAIPI-SANMLTNESA-N

MDL Number (MFCD)

MFCD04414513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.38

Polar Surface Area

65.997

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

C199-0057 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 C199-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C199-0057?
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What is the minimum amount of C199-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C199-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C199-0057
  • 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 C199-0057 available by request