3474-0206 Screening compound: 3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizin-10-yl cyanide

3474-0206 Screening compound: 3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizin-10-yl cyanide
3474-0206 Screening compound: 3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizin-10-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3474-0206
3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizin-10-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

3474-0206

Molecular Formula

C18H16N4O (C18 H16 N4 O)

Compound Name

3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizin-10-yl cyanide

IUPAC name

3-benzyl-4-oxo-3H4H6H7H8H9H-pyrimido[45-b]indolizine-10-carbonitrile

SMILES

N#Cc1c(CCCC2)n2c2c1N=CN(Cc1ccccc1)C2=O

InChI

InChI=1S/C18H16N4O/c19-10-14-15-8-4-5-9-22(15)17-16(14)20-12-21(18(17)23)11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2

InChI Key

RPYXBCYDZWSQKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00811800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-2.07

Polar Surface Area

42.053

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

3474-0206 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3474-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3474-0206?
Check Price and Availability of 3474-0206, 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 3474-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3474-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3474-0206
  • 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 3474-0206 available by request