4799-3730 Screening compound: 2-ethyl-3-methyl-1-piperidinopyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4799-3730 Screening compound: 2-ethyl-3-methyl-1-piperidinopyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4799-3730 Screening compound: 2-ethyl-3-methyl-1-piperidinopyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4799-3730
2-ethyl-3-methyl-1-piperidinopyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

4799-3730

Molecular Formula

C20H22N4 (C20 H22 N4)

Compound Name

2-ethyl-3-methyl-1-piperidinopyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-ethyl-11-methyl-13-(piperidin-1-yl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCc(c(C)c(c1nc(cccc2)c2n11)C#N)c1N1CCCCC1

InChI

InChI=1S/C20H22N4/c1-3-15-14(2)16(13-21)19-22-17-9-5-6-10-18(17)24(19)20(15)23-11-7-4-8-12-23/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3

InChI Key

LOLXDHVQJBBYPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00383802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.31

Polar Surface Area

27.366

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4799-3730 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4799-3730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4799-3730?
Check Price and Availability of 4799-3730, 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 4799-3730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4799-3730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4799-3730
  • 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 4799-3730 available by request