8015-3842 Screening compound: 1-oxo-3-(trifluoromethyl)-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

8015-3842 Screening compound: 1-oxo-3-(trifluoromethyl)-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
8015-3842 Screening compound: 1-oxo-3-(trifluoromethyl)-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3842
1-oxo-3-(trifluoromethyl)-1,5-dihydropyrido[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

8015-3842

Molecular Formula

C13H6F3N3O (C13 H6 F3 N3 O)

Compound Name

1-oxo-3-(trifluoromethyl)-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-oxo-11-(trifluoromethyl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35911-pentaene-10-carbonitrile

SMILES

N#CC(C(C(F)(F)F)=C1)=C(Nc2c3cccc2)N3C1=O

InChI

InChI=1S/C13H6F3N3O/c14-13(15,16)8-5-11(20)19-10-4-2-1-3-9(10)18-12(19)7(8)6-17/h1-5,18H

InChI Key

MXTYCXMNTMSRLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.432

Water Solubility, LogSw

-2.27

Polar Surface Area

43.837

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8015-3842 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-3842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3842?
Check Price and Availability of 8015-3842, 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 8015-3842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3842
  • 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 8015-3842 available by request