D094-0027 Screening compound: 4-{2-[2-(4-bromophenyl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}morpholine

D094-0027 Screening compound: 4-{2-[2-(4-bromophenyl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}morpholine
D094-0027 Screening compound: 4-{2-[2-(4-bromophenyl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D094-0027
4-{2-[2-(4-bromophenyl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}morpholine

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

D094-0027

Molecular Formula

C21H21BrN4O (C21 H21 BrN4 O)

Compound Name

4-{2-[2-(4-bromophenyl)-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl]ethyl}morpholine

IUPAC name

4-(4-bromophenyl)-7-[2-(morpholin-4-yl)ethyl]-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene

SMILES

Brc(cc1)ccc1-c1cn(c(cccc2)c2n2CCN3CCOCC3)c2n1

InChI

InChI=1S/C21H21BrN4O/c22-17-7-5-16(6-8-17)18-15-26-20-4-2-1-3-19(20)25(21(26)23-18)10-9-24-11-13-27-14-12-24/h1-8,15H,9-14H2

InChI Key

IBGVCSCPDAIATE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03664248

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

425.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-4.23

Polar Surface Area

23.163

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D094-0027 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)

PI3K-Targeted Library (17255 compounds)

Purinergic Library (3321 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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D094-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D094-0027?
Check Price and Availability of D094-0027, 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 D094-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D094-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D094-0027
  • 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 D094-0027 available by request