G513-0085 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-tert-butylbenzamide

G513-0085 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-tert-butylbenzamide
G513-0085 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0085
N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-tert-butylbenzamide

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

G513-0085

Molecular Formula

C26H28N2O3S (C26 H28 N2 O3 S)

Compound Name

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

IUPAC name

N-[1-(benzenesulfonyl)-1234-tetrahydroquinolin-7-yl]-4-tert-butylbenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1cc(N(CCC2)S(c3ccccc3)(=O)=O)c2cc1)=O

InChI

InChI=1S/C26H28N2O3S/c1-26(2,3)21-14-11-20(12-15-21)25(29)27-22-16-13-19-8-7-17-28(24(19)18-22)32(30,31)23-9-5-4-6-10-23/h4-6,9-16,18H,7-8,17H2,1-3H3,(H,27,29)

InChI Key

GGSGWVQAAPODEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

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

5.712

Distribution Coefficient, logD

5.712

Water Solubility, LogSw

-5.38

Polar Surface Area

54.482

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with G513-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0085?
Check Price and Availability of G513-0085, 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 G513-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0085
  • 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 G513-0085 available by request