S650-3532 Screening compound: N-(carbamoylmethyl)-3-(2-hydroxy-6-methoxyquinolin-3-yl)propanamide

S650-3532 Screening compound: N-(carbamoylmethyl)-3-(2-hydroxy-6-methoxyquinolin-3-yl)propanamide
S650-3532 Screening compound: N-(carbamoylmethyl)-3-(2-hydroxy-6-methoxyquinolin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S650-3532
N-(carbamoylmethyl)-3-(2-hydroxy-6-methoxyquinolin-3-yl)propanamide

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

S650-3532

Molecular Formula

C15H17N3O4 (C15 H17 N3 O4)

Compound Name

N-(carbamoylmethyl)-3-(2-hydroxy-6-methoxyquinolin-3-yl)propanamide

IUPAC name

N-(carbamoylmethyl)-3-(2-hydroxy-6-methoxyquinolin-3-yl)propanamide

SMILES

COc(cc1cc2CCC(NCC(N)=O)=O)ccc1nc2O

InChI

InChI=1S/C15H17N3O4/c1-22-11-3-4-12-10(7-11)6-9(15(21)18-12)2-5-14(20)17-8-13(16)19/h3-4,6-7H,2,5,8H2,1H3,(H2,16,19)(H,17,20)(H,18,21)

InChI Key

WNJQDUQWJFZQLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.704

Distribution Coefficient, logD

0.695

Water Solubility, LogSw

-2.10

Polar Surface Area

90.933

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

S650-3532 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S650-3532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S650-3532?
Check Price and Availability of S650-3532, 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 S650-3532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S650-3532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S650-3532
  • 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 S650-3532 available by request