2368-1141 Screening compound: 4-(2,5-dimethyl-3-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate

2368-1141 Screening compound: 4-(2,5-dimethyl-3-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate
2368-1141 Screening compound: 4-(2,5-dimethyl-3-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1141
4-(2,5-dimethyl-3-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate

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

2368-1141

Molecular Formula

C25H23N3O3 (C25 H23 N3 O3)

Compound Name

4-(2,5-dimethyl-3-{[(4Z)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate

IUPAC name

4-(25-dimethyl-3-{[(4Z)-3-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-ylidene]methyl}-1H-pyrrol-1-yl)phenyl acetate

SMILES

CC(Oc(cc1)ccc1-n1c(C)c(/C=C(/C(C)=NN2c3ccccc3)\C2=O)cc1C)=O

InChI

InChI=1S/C25H23N3O3/c1-16-14-20(18(3)27(16)21-10-12-23(13-11-21)31-19(4)29)15-24-17(2)26-28(25(24)30)22-8-6-5-7-9-22/h5-15H,1-4H3

InChI Key

CIIGTBGUZGMLID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.12

Polar Surface Area

49.003

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 2368-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1141
  • 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 2368-1141 available by request