G525-0144 Screening compound: methyl 2-(6,7-dimethoxy-2-{[(3-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

G525-0144 Screening compound: methyl 2-(6,7-dimethoxy-2-{[(3-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
G525-0144 Screening compound: methyl 2-(6,7-dimethoxy-2-{[(3-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G525-0144
methyl 2-(6,7-dimethoxy-2-{[(3-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

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

G525-0144

Molecular Formula

C23H28N2O6 (C23 H28 N2 O6)

Compound Name

methyl 2-(6,7-dimethoxy-2-{[(3-methoxyphenyl)methyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

IUPAC name

methyl 2-(67-dimethoxy-2-{[(3-methoxyphenyl)methyl]carbamoyl}-1234-tetrahydroisoquinolin-1-yl)acetate

SMILES

COC(CC(c(cc1OC)c(CC2)cc1OC)N2C(NCc1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C23H28N2O6/c1-28-17-7-5-6-15(10-17)14-24-23(27)25-9-8-16-11-20(29-2)21(30-3)12-18(16)19(25)13-22(26)31-4/h5-7,10-12,19H,8-9,13-14H2,1-4H3,(H,24,27)/t19-/m0/s1

InChI Key

SWFKMQPBDLUHOG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15015533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.395

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-2.92

Polar Surface Area

69.612

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G525-0144 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G525-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G525-0144?
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What is the minimum amount of G525-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G525-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G525-0144
  • 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 G525-0144 available by request