8019-3316 Screening compound: 2-[(1-butyl-1H-1,3-benzodiazol-2-yl)methylidene]propanedinitrile

8019-3316 Screening compound: 2-[(1-butyl-1H-1,3-benzodiazol-2-yl)methylidene]propanedinitrile
8019-3316 Screening compound: 2-[(1-butyl-1H-1,3-benzodiazol-2-yl)methylidene]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3316
2-[(1-butyl-1H-1,3-benzodiazol-2-yl)methylidene]propanedinitrile

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

8019-3316

Molecular Formula

C15H14N4 (C15 H14 N4)

Compound Name

2-[(1-butyl-1H-1,3-benzodiazol-2-yl)methylidene]propanedinitrile

IUPAC name

2-[(1-butyl-1H-13-benzodiazol-2-yl)methylidene]propanedinitrile

SMILES

CCCCn1c(cccc2)c2nc1C=C(C#N)C#N

InChI

InChI=1S/C15H14N4/c1-2-3-8-19-14-7-5-4-6-13(14)18-15(19)9-12(10-16)11-17/h4-7,9H,2-3,8H2,1H3

InChI Key

GSHPQPOYNXAPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07516671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-3.46

Polar Surface Area

45.506

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8019-3316 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3316?
Check Price and Availability of 8019-3316, 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 8019-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3316
  • 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 8019-3316 available by request