1501-0942 Screening compound: N-[(1E)-1-(2-fluorophenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

1501-0942 Screening compound: N-[(1E)-1-(2-fluorophenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
1501-0942 Screening compound: N-[(1E)-1-(2-fluorophenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0942
N-[(1E)-1-(2-fluorophenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

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

1501-0942

Molecular Formula

C21H21FN2O3 (C21 H21 FN2 O3)

Compound Name

N-[(1E)-1-(2-fluorophenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

IUPAC name

N-[(1E)-1-(2-fluorophenyl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(N/C(/C(N1CCOCC1)=O)=C/c(cccc1)c1F)=O

InChI

InChI=1S/C21H21FN2O3/c1-15-6-8-16(9-7-15)20(25)23-19(14-17-4-2-3-5-18(17)22)21(26)24-10-12-27-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,25)

InChI Key

VGQSDAPSMIOESJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00358676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

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

3.037

Distribution Coefficient, logD

0.516

Water Solubility, LogSw

-3.30

Polar Surface Area

46.720

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

1501-0942 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 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 1501-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1501-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0942
  • 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 1501-0942 available by request