D700-0054 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)acetamide

D700-0054 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)acetamide
D700-0054 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D700-0054
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenyl-1H-imidazo[1,2-a][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

D700-0054

Molecular Formula

C25H20N4O3 (C25 H20 N4 O3)

Compound Name

N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{4-phenyl-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)36810-pentaen-5-yl}acetamide

SMILES

O=C(Cn1c2nc(cccc3)c3n2cc1-c1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C25H20N4O3/c30-24(26-18-10-11-22-23(14-18)32-13-12-31-22)16-29-21(17-6-2-1-3-7-17)15-28-20-9-5-4-8-19(20)27-25(28)29/h1-11,14-15H,12-13,16H2,(H,26,30)

InChI Key

ZVHIBJOSOJFCHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.853

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-3.98

Polar Surface Area

49.732

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D700-0054 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D700-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D700-0054?
Check Price and Availability of D700-0054, 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 D700-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D700-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D700-0054
  • 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 D700-0054 available by request