G525-0056 Screening compound: methyl 2-{2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate

G525-0056 Screening compound: methyl 2-{2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
G525-0056 Screening compound: methyl 2-{2-[(4-bromo-3-methylphenyl)carbamoyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G525-0056
methyl 2-{2-[(4-bromo-3-methylphenyl)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

G525-0056

Molecular Formula

C24H29BrN2O5 (C24 H29 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(CCN(C2CC(OC)=O)C(Nc(cc3)cc(C)c3Br)=O)c2cc1OCC

InChI

InChI=1S/C24H29BrN2O5/c1-5-31-21-12-16-9-10-27(24(29)26-17-7-8-19(25)15(3)11-17)20(14-23(28)30-4)18(16)13-22(21)32-6-2/h7-8,11-13,20H,5-6,9-10,14H2,1-4H3,(H,26,29)/t20-/m0/s1

InChI Key

QWQRXKMVGYGNIY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15015499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.41

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

4.001

Distribution Coefficient, logD

4.001

Water Solubility, LogSw

-4.10

Polar Surface Area

59.905

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with G525-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G525-0056?
Check Price and Availability of G525-0056, 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 G525-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G525-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G525-0056
  • 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 G525-0056 available by request