2368-1613 Screening compound: (4E)-4-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

2368-1613 Screening compound: (4E)-4-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
2368-1613 Screening compound: (4E)-4-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1613
(4E)-4-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

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

2368-1613

Molecular Formula

C33H24ClN3O (C33 H24 ClN3 O)

Compound Name

(4E)-4-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-4-{[1-(4-chlorophenyl)-25-diphenyl-1H-pyrrol-3-yl]methylidene}-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\c(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Cl)=NN1c1ccccc1

InChI

InChI=1S/C33H24ClN3O/c1-23-30(33(38)37(35-23)29-15-9-4-10-16-29)21-26-22-31(24-11-5-2-6-12-24)36(28-19-17-27(34)18-20-28)32(26)25-13-7-3-8-14-25/h2-22H,1H3

InChI Key

MHGPRUKCFAKLHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01611529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.861

Distribution Coefficient, logD

7.861

Water Solubility, LogSw

-6.45

Polar Surface Area

25.767

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

References: we are preparing a list of scientific research reports with 2368-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2368-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1613
  • 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 2368-1613 available by request