Y600-1963 Screening compound: methyl (3R)-6,7-dimethoxy-2-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

Y600-1963 Screening compound: methyl (3R)-6,7-dimethoxy-2-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
Y600-1963 Screening compound: methyl (3R)-6,7-dimethoxy-2-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1963
methyl (3R)-6,7-dimethoxy-2-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

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

Y600-1963

Molecular Formula

C22H26N2O5 (C22 H26 N2 O5)

Compound Name

methyl (3R)-6,7-dimethoxy-2-[2-oxo-2-(4-toluidino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

IUPAC name

methyl (3R)-67-dimethoxy-2-{[(4-methylphenyl)carbamoyl]methyl}-1234-tetrahydroisoquinoline-3-carboxylate

SMILES

Cc(cc1)ccc1NC(CN(Cc(cc1OC)c(C2)cc1OC)C2C(OC)=O)=O

InChI

InChI=1S/C22H26N2O5/c1-14-5-7-17(8-6-14)23-21(25)13-24-12-16-11-20(28-3)19(27-2)10-15(16)9-18(24)22(26)29-4/h5-8,10-11,18H,9,12-13H2,1-4H3,(H,23,25)/t18-/m0/s1

InChI Key

CVJAAUBSOABKGD-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.26

Polar Surface Area

63.077

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with Y600-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1963?
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What is the minimum amount of Y600-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1963
  • 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 Y600-1963 available by request