G526-0199 Screening compound: 2-{2-[(4-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid

G526-0199 Screening compound: 2-{2-[(4-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid
G526-0199 Screening compound: 2-{2-[(4-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G526-0199
2-{2-[(4-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid

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

G526-0199

Molecular Formula

C18H17BrN2O3 (C18 H17 BrN2 O3)

Compound Name

2-{2-[(4-bromophenyl)carbamoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetic acid

IUPAC name

2-{2-[(4-bromophenyl)carbamoyl]-1234-tetrahydroisoquinolin-1-yl}acetic acid

SMILES

OC(CC(c1c(CC2)cccc1)N2C(Nc(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C18H17BrN2O3/c19-13-5-7-14(8-6-13)20-18(24)21-10-9-12-3-1-2-4-15(12)16(21)11-17(22)23/h1-8,16H,9-11H2,(H,20,24)(H,22,23)/t16-/m0/s1

InChI Key

AEYUDKZQRGDEQA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15015618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

0.888

Water Solubility, LogSw

-3.46

Polar Surface Area

53.290

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G526-0199 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G526-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G526-0199?
Check Price and Availability of G526-0199, 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 G526-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G526-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G526-0199
  • 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 G526-0199 available by request