D216-0903 Screening compound: N-(2-furylmethyl)-N-(2-phenylpyrimido[1,2-a][1,3]benzimidazol-4-yl)amine

D216-0903 Screening compound: N-(2-furylmethyl)-N-(2-phenylpyrimido[1,2-a][1,3]benzimidazol-4-yl)amine
D216-0903 Screening compound: N-(2-furylmethyl)-N-(2-phenylpyrimido[1,2-a][1,3]benzimidazol-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0903
N-(2-furylmethyl)-N-(2-phenylpyrimido[1,2-a][1,3]benzimidazol-4-yl)amine

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

D216-0903

Molecular Formula

C21H16N4O (C21 H16 N4 O)

Compound Name

N-(2-furylmethyl)-N-(2-phenylpyrimido[1,2-a][1,3]benzimidazol-4-yl)amine

IUPAC name

N-[(furan-2-yl)methyl]-11-phenyl-1810-triazatricyclo[7.4.0.0^{27}]trideca-24681012-hexaen-13-amine

SMILES

C(c1ccco1)Nc1cc(-c2ccccc2)nc2nc(cccc3)c3n12

InChI

InChI=1S/C21H16N4O/c1-2-7-15(8-3-1)18-13-20(22-14-16-9-6-12-26-16)25-19-11-5-4-10-17(19)23-21(25)24-18/h1-13,22H,14H2

InChI Key

MZNXBYRZKRKWEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.232

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-5.48

Polar Surface Area

35.855

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

9.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D216-0903 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D216-0903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0903?
Check Price and Availability of D216-0903, 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 D216-0903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0903
  • 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 D216-0903 available by request