4593-7282 Screening compound: N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide

4593-7282 Screening compound: N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide
4593-7282 Screening compound: N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-7282
N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-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

4593-7282

Molecular Formula

C31H29ClN4O3 (C31 H29 ClN4 O3)

Compound Name

N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-(2,6-dimethylmorpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide

IUPAC name

N-[(1Z)-1-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-(26-dimethylmorpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide

SMILES

CC(C1)OC(C)CN1C(/C(/NC(c1ccccc1)=O)=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C31H29ClN4O3/c1-21-18-35(19-22(2)39-21)31(38)28(33-30(37)24-9-5-3-6-10-24)17-25-20-36(27-11-7-4-8-12-27)34-29(25)23-13-15-26(32)16-14-23/h3-17,20-22H,18-19H2,1-2H3,(H,33,37)

InChI Key

UBRQJSRQCJWKNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02972505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.05

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

5.008

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-5.21

Polar Surface Area

60.376

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.40

4593-7282 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 4593-7282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-7282?
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What is the minimum amount of 4593-7282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-7282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-7282
  • 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 4593-7282 available by request