D560-0232 Screening compound: N~1~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-ethyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

D560-0232 Screening compound: N~1~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-ethyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide
D560-0232 Screening compound: N~1~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-ethyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D560-0232
N~1~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-ethyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)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

D560-0232

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

N~1~-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-ethyl-6,7-dihydro-1H-[1,4]dioxino[2,3-f][1,3]benzimidazol-1-yl)acetamide

IUPAC name

N-(34-dihydro-2H-15-benzodioxepin-7-yl)-2-{5-ethyl-1013-dioxa-46-diazatricyclo[7.4.0.0^{37}]trideca-1(9)257-tetraen-4-yl}acetamide

SMILES

CCc1nc(cc2OCCOc2c2)c2n1CC(Nc(cc1)cc2c1OCCCO2)=O

InChI

InChI=1S/C22H23N3O5/c1-2-21-24-15-11-19-20(30-9-8-29-19)12-16(15)25(21)13-22(26)23-14-4-5-17-18(10-14)28-7-3-6-27-17/h4-5,10-12H,2-3,6-9,13H2,1H3,(H,23,26)

InChI Key

CZRVUOPXNJIDTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.767

Water Solubility, LogSw

-2.77

Polar Surface Area

66.270

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D560-0232 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D560-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D560-0232?
Check Price and Availability of D560-0232, 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 D560-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D560-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D560-0232
  • 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 D560-0232 available by request