S581-0682 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(2-methoxyethyl)-2-oxo-3-azepanyl]acetamide

S581-0682 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(2-methoxyethyl)-2-oxo-3-azepanyl]acetamide
S581-0682 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(2-methoxyethyl)-2-oxo-3-azepanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S581-0682
N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(2-methoxyethyl)-2-oxo-3-azepanyl]acetamide

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

S581-0682

Molecular Formula

C19H27ClN2O4 (C19 H27 ClN2 O4)

Compound Name

N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(2-methoxyethyl)-2-oxo-3-azepanyl]acetamide

IUPAC name

n/a

SMILES

Cc(cc(c(OC)c1)NC(CC(CCCCN2CCOC)C2=O)=O)c1Cl

InChI

InChI=1S/C19H27ClN2O4/c1-13-10-16(17(26-3)12-15(13)20)21-18(23)11-14-6-4-5-7-22(19(14)24)8-9-25-2/h10,12,14H,4-9,11H2,1-3H3,(H,21,23)/t14-/m1/s1

InChI Key

HOWLMYQZVBQYAA-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29015016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.39

Polar Surface Area

55.591

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

S581-0682 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S581-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S581-0682?
Check Price and Availability of S581-0682, 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 S581-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S581-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S581-0682
  • 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 S581-0682 available by request