S515-0720 Screening compound: N~2~-(3,5-dimethoxyphenyl)-7-oxo-2-(3-pyridylmethyl)-2-azepanecarboxamide

S515-0720 Screening compound: N~2~-(3,5-dimethoxyphenyl)-7-oxo-2-(3-pyridylmethyl)-2-azepanecarboxamide
S515-0720 Screening compound: N~2~-(3,5-dimethoxyphenyl)-7-oxo-2-(3-pyridylmethyl)-2-azepanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0720
N~2~-(3,5-dimethoxyphenyl)-7-oxo-2-(3-pyridylmethyl)-2-azepanecarboxamide

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

S515-0720

Molecular Formula

C21H25N3O4 (C21 H25 N3 O4)

Compound Name

N~2~-(3,5-dimethoxyphenyl)-7-oxo-2-(3-pyridylmethyl)-2-azepanecarboxamide

IUPAC name

n/a

SMILES

COc1cc(NC(C(Cc2cnccc2)(CCCC2)NC2=O)=O)cc(OC)c1

InChI

InChI=1S/C21H25N3O4/c1-27-17-10-16(11-18(12-17)28-2)23-20(26)21(8-4-3-7-19(25)24-21)13-15-6-5-9-22-14-15/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,26)(H,24,25)/t21-/m1/s1

InChI Key

CUMXSNFEQONYPA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29008269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.941

Distribution Coefficient, logD

1.939

Water Solubility, LogSw

-2.15

Polar Surface Area

74.038

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S515-0720 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S515-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0720?
Check Price and Availability of S515-0720, 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 S515-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0720
  • 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 S515-0720 available by request