4292-0501 Screening compound: (2E)-N-[3-(1H-imidazol-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-2-(phenylformamido)prop-2-enamide

4292-0501 Screening compound: (2E)-N-[3-(1H-imidazol-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-2-(phenylformamido)prop-2-enamide
4292-0501 Screening compound: (2E)-N-[3-(1H-imidazol-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-2-(phenylformamido)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4292-0501
(2E)-N-[3-(1H-imidazol-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-2-(phenylformamido)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

4292-0501

Molecular Formula

C23H24N4O2S (C23 H24 N4 O2 S)

Compound Name

(2E)-N-[3-(1H-imidazol-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-2-(phenylformamido)prop-2-enamide

IUPAC name

(2E)-N-[3-(1H-imidazol-1-yl)propyl]-3-[4-(methylsulfanyl)phenyl]-2-(phenylformamido)prop-2-enamide

SMILES

CSc1ccc(/C=C(\C(NCCCn2cncc2)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C23H24N4O2S/c1-30-20-10-8-18(9-11-20)16-21(26-22(28)19-6-3-2-4-7-19)23(29)25-12-5-14-27-15-13-24-17-27/h2-4,6-11,13,15-17H,5,12,14H2,1H3,(H,25,29)(H,26,28)

InChI Key

HQCWXFOTJRTBCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02997533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

1.765

Water Solubility, LogSw

-3.32

Polar Surface Area

59.218

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4292-0501 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4292-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4292-0501?
Check Price and Availability of 4292-0501, 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 4292-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4292-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4292-0501
  • 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 4292-0501 available by request