G513-0004 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,3-dimethylbutanamide

G513-0004 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,3-dimethylbutanamide
G513-0004 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,3-dimethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0004
N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,3-dimethylbutanamide

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

G513-0004

Molecular Formula

C21H26N2O3S (C21 H26 N2 O3 S)

Compound Name

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

IUPAC name

N-[1-(benzenesulfonyl)-1234-tetrahydroquinolin-7-yl]-33-dimethylbutanamide

SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)15-20(24)22-17-12-11-16-8-7-13-23(19(16)14-17)27(25,26)18-9-5-4-6-10-18/h4-6,9-12,14H,7-8,13,15H2,1-3H3,(H,22,24)

InChI Key

CMGCUHJYFFQXJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-4.18

Polar Surface Area

54.540

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G513-0004 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G513-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0004?
Check Price and Availability of G513-0004, 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 G513-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0004
  • 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 G513-0004 available by request