S535-0422 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-(MORPHOLINOMETHYL)-1-AZEPANECARBOXAMIDE

S535-0422 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-(MORPHOLINOMETHYL)-1-AZEPANECARBOXAMIDE
S535-0422 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-(MORPHOLINOMETHYL)-1-AZEPANECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S535-0422
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-(MORPHOLINOMETHYL)-1-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

S535-0422

Molecular Formula

C20H29N3O4 (C20 H29 N3 O4)

Compound Name

N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4-(MORPHOLINOMETHYL)-1-AZEPANECARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(Nc(cc1)cc2c1OCCO2)N1CCC(CN2CCOCC2)CCC1

InChI

InChI=1S/C20H29N3O4/c24-20(21-17-3-4-18-19(14-17)27-13-12-26-18)23-6-1-2-16(5-7-23)15-22-8-10-25-11-9-22/h3-4,14,16H,1-2,5-13,15H2,(H,21,24)/t16-/m1/s1

InChI Key

PRNHGKFNVUDZEC-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30466576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.183

Distribution Coefficient, logD

0.738

Water Solubility, LogSw

-2.05

Polar Surface Area

53.503

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S535-0422 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S535-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S535-0422?
Check Price and Availability of S535-0422, 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 S535-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S535-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S535-0422
  • 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 S535-0422 available by request