G525-0032 Screening compound: ethyl 4-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate

G525-0032 Screening compound: ethyl 4-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate
G525-0032 Screening compound: ethyl 4-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G525-0032
ethyl 4-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate

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

G525-0032

Molecular Formula

C26H32N2O7 (C26 H32 N2 O7)

Compound Name

ethyl 4-{[6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]amino}benzoate

IUPAC name

ethyl 4-{[67-diethoxy-1-(2-methoxy-2-oxoethyl)-1234-tetrahydroisoquinoline-2-carbonyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)C(CC(OC)=O)c(cc2OCC)c1cc2OCC)=O)=O

InChI

InChI=1S/C26H32N2O7/c1-5-33-22-14-18-12-13-28(21(16-24(29)32-4)20(18)15-23(22)34-6-2)26(31)27-19-10-8-17(9-11-19)25(30)35-7-3/h8-11,14-15,21H,5-7,12-13,16H2,1-4H3,(H,27,31)/t21-/m0/s1

InChI Key

KYSNYSWGJLIINQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15015487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.64

Polar Surface Area

80.659

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

G525-0032 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G525-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G525-0032?
Check Price and Availability of G525-0032, 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 G525-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G525-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G525-0032
  • 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 G525-0032 available by request