G354-2620 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

G354-2620 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one
G354-2620 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G354-2620
3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

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

G354-2620

Molecular Formula

C16H18N2O (C16 H18 N2 O)

Compound Name

3-(1H-pyrrol-1-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

IUPAC name

3-(1H-pyrrol-1-yl)-1-(1234-tetrahydroisoquinolin-2-yl)propan-1-one

SMILES

O=C(CCn1cccc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C16H18N2O/c19-16(8-11-17-9-3-4-10-17)18-12-7-14-5-1-2-6-15(14)13-18/h1-6,9-10H,7-8,11-13H2

InChI Key

NMRUZTGTBHOOST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15001630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.540

Distribution Coefficient, logD

2.540

Water Solubility, LogSw

-2.39

Polar Surface Area

20.082

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G354-2620 in Drug Discovery

Included in Screening Libraries

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 G354-2620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G354-2620?
Check Price and Availability of G354-2620, 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 G354-2620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G354-2620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G354-2620
  • 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 G354-2620 available by request