G525-0025 Screening compound: methyl 2-{2-[(3-chloro-4-fluorophenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate

G525-0025 Screening compound: methyl 2-{2-[(3-chloro-4-fluorophenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
G525-0025 Screening compound: methyl 2-{2-[(3-chloro-4-fluorophenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G525-0025
methyl 2-{2-[(3-chloro-4-fluorophenyl)carbamoyl]-6,7-diethoxy-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

G525-0025

Molecular Formula

C23H26ClFN2O5 (C23 H26 ClFN2 O5)

Compound Name

methyl 2-{2-[(3-chloro-4-fluorophenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate

IUPAC name

methyl 2-{2-[(3-chloro-4-fluorophenyl)carbamoyl]-67-diethoxy-1234-tetrahydroisoquinolin-1-yl}acetate

SMILES

CCOc1cc(CCN(C2CC(OC)=O)C(Nc(cc3)cc(Cl)c3F)=O)c2cc1OCC

InChI

InChI=1S/C23H26ClFN2O5/c1-4-31-20-10-14-8-9-27(23(29)26-15-6-7-18(25)17(24)11-15)19(13-22(28)30-3)16(14)12-21(20)32-5-2/h6-7,10-12,19H,4-5,8-9,13H2,1-3H3,(H,26,29)/t19-/m0/s1

InChI Key

XXJDXYYVAJYLJM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15015480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.90

Polar Surface Area

59.905

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with G525-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G525-0025?
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What is the minimum amount of G525-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G525-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G525-0025
  • 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 G525-0025 available by request