G525-0142 Screening compound: METHYL 2-{2-[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBAMOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE

G525-0142 Screening compound: METHYL 2-{2-[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBAMOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE
G525-0142 Screening compound: METHYL 2-{2-[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBAMOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound G525-0142
METHYL 2-{2-[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBAMOYL]-6,7-DIMETHOXY-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

G525-0142

Molecular Formula

C23H26N2O7 (C23 H26 N2 O7)

Compound Name

METHYL 2-{2-[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBAMOYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL}ACETATE

IUPAC name

n/a

SMILES

COC(CC(c(cc1OC)c(CC2)cc1OC)N2C(Nc(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C23H26N2O7/c1-28-19-10-14-6-7-25(17(13-22(26)30-3)16(14)12-20(19)29-2)23(27)24-15-4-5-18-21(11-15)32-9-8-31-18/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,24,27)/t17-/m0/s1

InChI Key

HZHIDKDFTKPDDC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15015532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.508

Distribution Coefficient, logD

1.508

Water Solubility, LogSw

-2.13

Polar Surface Area

76.569

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G525-0142 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 G525-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G525-0142?
Check Price and Availability of G525-0142, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G525-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G525-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G525-0142
  • 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 G525-0142 available by request