4708-0203 Screening compound: ethyl 3-[1-(1H-1,3-benzimidazol-1-yl)-4-cyano-3-methylpyrido[1,2-a][1,3]benzimidazol-2-yl]propanoate

4708-0203 Screening compound: ethyl 3-[1-(1H-1,3-benzimidazol-1-yl)-4-cyano-3-methylpyrido[1,2-a][1,3]benzimidazol-2-yl]propanoate
4708-0203 Screening compound: ethyl 3-[1-(1H-1,3-benzimidazol-1-yl)-4-cyano-3-methylpyrido[1,2-a][1,3]benzimidazol-2-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0203
ethyl 3-[1-(1H-1,3-benzimidazol-1-yl)-4-cyano-3-methylpyrido[1,2-a][1,3]benzimidazol-2-yl]propanoate

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

4708-0203

Molecular Formula

C25H21N5O2 (C25 H21 N5 O2)

Compound Name

ethyl 3-[1-(1H-1,3-benzimidazol-1-yl)-4-cyano-3-methylpyrido[1,2-a][1,3]benzimidazol-2-yl]propanoate

IUPAC name

ethyl 3-[13-(1H-13-benzodiazol-1-yl)-10-cyano-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaen-12-yl]propanoate

SMILES

CCOC(CCc(c(C)c1C#N)c(-n2c(cccc3)c3nc2)n2c1nc1c2cccc1)=O

InChI

InChI=1S/C25H21N5O2/c1-3-32-23(31)13-12-17-16(2)18(14-26)24-28-20-9-5-7-11-22(20)30(24)25(17)29-15-27-19-8-4-6-10-21(19)29/h4-11,15H,3,12-13H2,1-2H3

InChI Key

VSJVDSCFHFHQQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.969

Water Solubility, LogSw

-4.76

Polar Surface Area

54.716

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4708-0203 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4708-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0203?
Check Price and Availability of 4708-0203, 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 4708-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0203
  • 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 4708-0203 available by request