3347-3643 Screening compound: 2-[1-(2-hydroxyethyl)-2,6-dimethyl-1,4-dihydropyridin-4-ylidene]propanedinitrile

3347-3643 Screening compound: 2-[1-(2-hydroxyethyl)-2,6-dimethyl-1,4-dihydropyridin-4-ylidene]propanedinitrile
3347-3643 Screening compound: 2-[1-(2-hydroxyethyl)-2,6-dimethyl-1,4-dihydropyridin-4-ylidene]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3643
2-[1-(2-hydroxyethyl)-2,6-dimethyl-1,4-dihydropyridin-4-ylidene]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

3347-3643

Molecular Formula

C12H13N3O (C12 H13 N3 O)

Compound Name

2-[1-(2-hydroxyethyl)-2,6-dimethyl-1,4-dihydropyridin-4-ylidene]propanedinitrile

IUPAC name

2-[1-(2-hydroxyethyl)-26-dimethyl-14-dihydropyridin-4-ylidene]propanedinitrile

SMILES

CC(N(CCO)C(C)=C1)=CC1=C(C#N)C#N

InChI

InChI=1S/C12H13N3O/c1-9-5-11(12(7-13)8-14)6-10(2)15(9)3-4-16/h5-6,16H,3-4H2,1-2H3

InChI Key

QQEXMXQBKIYAQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

215.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.024

Distribution Coefficient, logD

1.024

Water Solubility, LogSw

-0.65

Polar Surface Area

52.475

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3347-3643 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3347-3643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3643?
Check Price and Availability of 3347-3643, 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 3347-3643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3643
  • 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 3347-3643 available by request