G513-0045 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-phenylpropanamide

G513-0045 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-phenylpropanamide
G513-0045 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0045
N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-phenylpropanamide

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

G513-0045

Molecular Formula

C24H24N2O3S (C24 H24 N2 O3 S)

Compound Name

N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3-phenylpropanamide

IUPAC name

N-[1-(benzenesulfonyl)-1234-tetrahydroquinolin-7-yl]-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)Nc1cc(N(CCC2)S(c3ccccc3)(=O)=O)c2cc1

InChI

InChI=1S/C24H24N2O3S/c27-24(16-13-19-8-3-1-4-9-19)25-21-15-14-20-10-7-17-26(23(20)18-21)30(28,29)22-11-5-2-6-12-22/h1-6,8-9,11-12,14-15,18H,7,10,13,16-17H2,(H,25,27)

InChI Key

KALVIHWFVQRCSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.30

Polar Surface Area

54.269

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G513-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G513-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0045?
Check Price and Availability of G513-0045, 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 G513-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0045
  • 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 G513-0045 available by request