5408-1579 Screening compound: (2Z)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(3,4-dimethylphenyl)prop-2-enamide

5408-1579 Screening compound: (2Z)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
5408-1579 Screening compound: (2Z)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(3,4-dimethylphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-1579
(2Z)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(3,4-dimethylphenyl)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

5408-1579

Molecular Formula

C23H22N4O (C23 H22 N4 O)

Compound Name

(2Z)-2-cyano-3-[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(3,4-dimethylphenyl)prop-2-enamide

IUPAC name

(2Z)-2-cyano-3-[25-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]-N-(34-dimethylphenyl)prop-2-enamide

SMILES

Cc1cc(/C=C(\C(Nc2cc(C)c(C)cc2)=O)/C#N)c(C)n1-c1cnccc1

InChI

InChI=1S/C23H22N4O/c1-15-7-8-21(10-16(15)2)26-23(28)20(13-24)12-19-11-17(3)27(18(19)4)22-6-5-9-25-14-22/h5-12,14H,1-4H3,(H,26,28)

InChI Key

WLQYRRZWPIWMDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-3.95

Polar Surface Area

52.569

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

5408-1579 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5408-1579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-1579?
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What is the minimum amount of 5408-1579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-1579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-1579
  • 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 5408-1579 available by request