4729-1162 Screening compound: 3,4-dimethyl-N-[(1Z)-3-(morpholin-4-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide

4729-1162 Screening compound: 3,4-dimethyl-N-[(1Z)-3-(morpholin-4-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide
4729-1162 Screening compound: 3,4-dimethyl-N-[(1Z)-3-(morpholin-4-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4729-1162
3,4-dimethyl-N-[(1Z)-3-(morpholin-4-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide

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

4729-1162

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

3,4-dimethyl-N-[(1Z)-3-(morpholin-4-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide

IUPAC name

34-dimethyl-N-[(1Z)-3-(morpholin-4-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide

SMILES

Cc(cc1)c(C)cc1C(N/C(/C(N1CCOCC1)=O)=C\c1cccs1)=O

InChI

InChI=1S/C20H22N2O3S/c1-14-5-6-16(12-15(14)2)19(23)21-18(13-17-4-3-11-26-17)20(24)22-7-9-25-10-8-22/h3-6,11-13H,7-10H2,1-2H3,(H,21,23)

InChI Key

NLARBYVUKOPWDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02319513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-3.26

Polar Surface Area

47.738

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4729-1162 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4729-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4729-1162?
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What is the minimum amount of 4729-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4729-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4729-1162
  • 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 4729-1162 available by request