D700-0006 Screening compound: 2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-N~1~-propylacetamide

D700-0006 Screening compound: 2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-N~1~-propylacetamide
D700-0006 Screening compound: 2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-N~1~-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D700-0006
2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-N~1~-propylacetamide

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

D700-0006

Molecular Formula

C20H20N4O (C20 H20 N4 O)

Compound Name

2-(2-phenyl-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-N~1~-propylacetamide

IUPAC name

2-{4-phenyl-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)36810-pentaen-5-yl}-N-propylacetamide

SMILES

CCCNC(Cn1c2nc(cccc3)c3n2cc1-c1ccccc1)=O

InChI

InChI=1S/C20H20N4O/c1-2-12-21-19(25)14-24-18(15-8-4-3-5-9-15)13-23-17-11-7-6-10-16(17)22-20(23)24/h3-11,13H,2,12,14H2,1H3,(H,21,25)

InChI Key

OYRWPVKPZFWQLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.34

Polar Surface Area

35.344

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D700-0006 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D700-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D700-0006?
Check Price and Availability of D700-0006, 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 D700-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D700-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D700-0006
  • 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 D700-0006 available by request