4295-0569 Screening compound: 3,4-dimethyl-N-[(1Z)-3-oxo-3-(thiomorpholin-4-yl)-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide

4295-0569 Screening compound: 3,4-dimethyl-N-[(1Z)-3-oxo-3-(thiomorpholin-4-yl)-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide
4295-0569 Screening compound: 3,4-dimethyl-N-[(1Z)-3-oxo-3-(thiomorpholin-4-yl)-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4295-0569
3,4-dimethyl-N-[(1Z)-3-oxo-3-(thiomorpholin-4-yl)-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

4295-0569

Molecular Formula

C20H22N2O2S2 (C20 H22 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1C(N/C(/C(N1CCSCC1)=O)=C\c1cccs1)=O

InChI

InChI=1S/C20H22N2O2S2/c1-14-5-6-16(12-15(14)2)19(23)21-18(13-17-4-3-9-26-17)20(24)22-7-10-25-11-8-22/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,23)

InChI Key

LQOWHJCGEHAKFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02319514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-3.87

Polar Surface Area

39.830

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4295-0569 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 4295-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4295-0569?
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What is the minimum amount of 4295-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4295-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4295-0569
  • 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 4295-0569 available by request