G513-0014 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-(propan-2-yloxy)benzamide

G513-0014 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-(propan-2-yloxy)benzamide
G513-0014 Screening compound: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-(propan-2-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G513-0014
N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-(propan-2-yloxy)benzamide

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

G513-0014

Molecular Formula

C25H26N2O4S (C25 H26 N2 O4 S)

Compound Name

N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-4-(propan-2-yloxy)benzamide

IUPAC name

N-[1-(benzenesulfonyl)-1234-tetrahydroquinolin-7-yl]-4-(propan-2-yloxy)benzamide

SMILES

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

InChI

InChI=1S/C25H26N2O4S/c1-18(2)31-22-14-11-20(12-15-22)25(28)26-21-13-10-19-7-6-16-27(24(19)17-21)32(29,30)23-8-4-3-5-9-23/h3-5,8-15,17-18H,6-7,16H2,1-2H3,(H,26,28)

InChI Key

FHOWJCGAPWNGIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08008405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.585

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.27

Polar Surface Area

61.285

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G513-0014 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G513-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G513-0014?
Check Price and Availability of G513-0014, 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 G513-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G513-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G513-0014
  • 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 G513-0014 available by request