4593-7275 Screening compound: N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

4593-7275 Screening compound: N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
4593-7275 Screening compound: N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-7275
N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(1,3-diphenyl-1H-pyrazol-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

4593-7275

Molecular Formula

C32H32N4O3 (C32 H32 N4 O3)

Compound Name

N-[(1Z)-3-(2,6-dimethylmorpholin-4-yl)-1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

IUPAC name

N-[(1Z)-3-(26-dimethylmorpholin-4-yl)-1-(13-diphenyl-1H-pyrazol-4-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

SMILES

CC(C1)OC(C)CN1C(/C(/NC(c1ccc(C)cc1)=O)=C/c1cn(-c2ccccc2)nc1-c1ccccc1)=O

InChI

InChI=1S/C32H32N4O3/c1-22-14-16-26(17-15-22)31(37)33-29(32(38)35-19-23(2)39-24(3)20-35)18-27-21-36(28-12-8-5-9-13-28)34-30(27)25-10-6-4-7-11-25/h4-18,21,23-24H,19-20H2,1-3H3,(H,33,37)

InChI Key

CHOWJEPCVAURQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02972498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.63

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

4.837

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-4.44

Polar Surface Area

60.376

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.90

4593-7275 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 4593-7275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-7275?
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What is the minimum amount of 4593-7275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-7275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-7275
  • 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 4593-7275 available by request