1770-0228 Screening compound: 1-(9-butyl-2-phenyl-9H-imidazo[1,2-a][1,3]benzimidazol-3-yl)-1-ethanone

1770-0228 Screening compound: 1-(9-butyl-2-phenyl-9H-imidazo[1,2-a][1,3]benzimidazol-3-yl)-1-ethanone
1770-0228 Screening compound: 1-(9-butyl-2-phenyl-9H-imidazo[1,2-a][1,3]benzimidazol-3-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 1770-0228
1-(9-butyl-2-phenyl-9H-imidazo[1,2-a][1,3]benzimidazol-3-yl)-1-ethanone

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

1770-0228

Molecular Formula

C21H21N3O (C21 H21 N3 O)

Compound Name

1-(9-butyl-2-phenyl-9H-imidazo[1,2-a][1,3]benzimidazol-3-yl)-1-ethanone

IUPAC name

1-{7-butyl-4-phenyl-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-yl}ethan-1-one

SMILES

CCCCn1c2nc(-c3ccccc3)c(C(C)=O)n2c2c1cccc2

InChI

InChI=1S/C21H21N3O/c1-3-4-14-23-17-12-8-9-13-18(17)24-20(15(2)25)19(22-21(23)24)16-10-6-5-7-11-16/h5-13H,3-4,14H2,1-2H3

InChI Key

RKQLSYFZYOUANR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00965813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.06

Polar Surface Area

24.697

Acid Dissociation Constant (pKa)

19.79

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

1770-0228 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1770-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1770-0228?
Check Price and Availability of 1770-0228, 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 1770-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1770-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1770-0228
  • 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 1770-0228 available by request