1501-1258 Screening compound: (2E)-N-cyclohexyl-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

1501-1258 Screening compound: (2E)-N-cyclohexyl-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide
1501-1258 Screening compound: (2E)-N-cyclohexyl-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-1258
(2E)-N-cyclohexyl-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)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

1501-1258

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

(2E)-N-cyclohexyl-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-cyclohexyl-2-[(4-methylphenyl)formamido]-3-(3-nitrophenyl)prop-2-enamide

SMILES

Cc(cc1)ccc1C(N/C(/C(NC1CCCCC1)=O)=C/c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C23H25N3O4/c1-16-10-12-18(13-11-16)22(27)25-21(23(28)24-19-7-3-2-4-8-19)15-17-6-5-9-20(14-17)26(29)30/h5-6,9-15,19H,2-4,7-8H2,1H3,(H,24,28)(H,25,27)

InChI Key

DYIRRXXCXBLIRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00616187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-4.35

Polar Surface Area

79.683

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

1501-1258 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1501-1258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-1258?
Check Price and Availability of 1501-1258, 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 1501-1258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-1258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-1258
  • 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 1501-1258 available by request