4593-7278 Screening compound: N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl]-4-fluorobenzamide

4593-7278 Screening compound: N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl]-4-fluorobenzamide
4593-7278 Screening compound: N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-7278
N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl]-4-fluorobenzamide

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

4593-7278

Molecular Formula

C29H27FN4O3S (C29 H27 FN4 O3 S)

Compound Name

N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl]-4-fluorobenzamide

IUPAC name

N-[(1Z)-3-(26-dimethylmorpholin-4-yl)-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl]-4-fluorobenzamide

SMILES

CC(C1)OC(C)CN1C(/C(/NC(c(cc1)ccc1F)=O)=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O

InChI

InChI=1S/C29H27FN4O3S/c1-19-16-33(17-20(2)37-19)29(36)25(31-28(35)21-10-12-23(30)13-11-21)15-22-18-34(24-7-4-3-5-8-24)32-27(22)26-9-6-14-38-26/h3-15,18-20H,16-17H2,1-2H3,(H,31,35)

InChI Key

IEJFCSBNERJEQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02972501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.497

Distribution Coefficient, logD

2.269

Water Solubility, LogSw

-4.18

Polar Surface Area

61.395

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.70

4593-7278 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4593-7278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-7278?
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What is the minimum amount of 4593-7278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-7278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-7278
  • 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 4593-7278 available by request