4100-0577 Screening compound: (2E)-3-(2-chlorophenyl)-N-[3-(diethylamino)propyl]prop-2-enamide

4100-0577 Screening compound: (2E)-3-(2-chlorophenyl)-N-[3-(diethylamino)propyl]prop-2-enamide
4100-0577 Screening compound: (2E)-3-(2-chlorophenyl)-N-[3-(diethylamino)propyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-0577
(2E)-3-(2-chlorophenyl)-N-[3-(diethylamino)propyl]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

4100-0577

Molecular Formula

C16H23ClN2O (C16 H23 ClN2 O)

Compound Name

(2E)-3-(2-chlorophenyl)-N-[3-(diethylamino)propyl]prop-2-enamide

IUPAC name

(2E)-3-(2-chlorophenyl)-N-[3-(diethylamino)propyl]prop-2-enamide

SMILES

CCN(CC)CCCNC(/C=C/c(cccc1)c1Cl)=O

InChI

InChI=1S/C16H23ClN2O/c1-3-19(4-2)13-7-12-18-16(20)11-10-14-8-5-6-9-15(14)17/h5-6,8-11H,3-4,7,12-13H2,1-2H3,(H,18,20)

InChI Key

ZNJGVNWNCQAAQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02860896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

0.785

Water Solubility, LogSw

-3.61

Polar Surface Area

27.963

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

4100-0577 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4100-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-0577?
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What is the minimum amount of 4100-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-0577
  • 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 4100-0577 available by request