1309-2050 Screening compound: (2Z)-3-(4-chlorophenyl)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]prop-2-enamide

1309-2050 Screening compound: (2Z)-3-(4-chlorophenyl)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]prop-2-enamide
1309-2050 Screening compound: (2Z)-3-(4-chlorophenyl)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2050
(2Z)-3-(4-chlorophenyl)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]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

1309-2050

Molecular Formula

C21H23ClN2O3 (C21 H23 ClN2 O3)

Compound Name

(2Z)-3-(4-chlorophenyl)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]prop-2-enamide

IUPAC name

(2Z)-3-(4-chlorophenyl)-N-(3-methoxypropyl)-2-[(4-methylphenyl)formamido]prop-2-enamide

SMILES

Cc(cc1)ccc1C(N/C(/C(NCCCOC)=O)=C\c(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H23ClN2O3/c1-15-4-8-17(9-5-15)20(25)24-19(21(26)23-12-3-13-27-2)14-16-6-10-18(22)11-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)(H,24,25)

InChI Key

PPFLQLMMHQMXCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00768541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-4.30

Polar Surface Area

55.032

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

1309-2050 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1309-2050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2050?
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What is the minimum amount of 1309-2050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2050
  • 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 1309-2050 available by request