4295-0661 Screening compound: (2Z)-2-(phenylformamido)-3-(pyridin-3-yl)-N-[(pyridin-3-yl)methyl]prop-2-enamide

4295-0661 Screening compound: (2Z)-2-(phenylformamido)-3-(pyridin-3-yl)-N-[(pyridin-3-yl)methyl]prop-2-enamide
4295-0661 Screening compound: (2Z)-2-(phenylformamido)-3-(pyridin-3-yl)-N-[(pyridin-3-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4295-0661
(2Z)-2-(phenylformamido)-3-(pyridin-3-yl)-N-[(pyridin-3-yl)methyl]prop-2-enamide

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

4295-0661

Molecular Formula

C21H18N4O2 (C21 H18 N4 O2)

Compound Name

(2Z)-2-(phenylformamido)-3-(pyridin-3-yl)-N-[(pyridin-3-yl)methyl]prop-2-enamide

IUPAC name

(2Z)-2-(phenylformamido)-3-(pyridin-3-yl)-N-[(pyridin-3-yl)methyl]prop-2-enamide

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C/c1cnccc1)NCc1cnccc1

InChI

InChI=1S/C21H18N4O2/c26-20(18-8-2-1-3-9-18)25-19(12-16-6-4-10-22-13-16)21(27)24-15-17-7-5-11-23-14-17/h1-14H,15H2,(H,24,27)(H,25,26)

InChI Key

OZKHCKQYHWDEJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

0.384

Water Solubility, LogSw

-1.26

Polar Surface Area

65.612

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4295-0661 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 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 4295-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4295-0661?
Check Price and Availability of 4295-0661, 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 4295-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4295-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4295-0661
  • 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 4295-0661 available by request