C737-0458 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one

C737-0458 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one
C737-0458 Screening compound: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-0458
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-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

C737-0458

Molecular Formula

C25H29N3O (C25 H29 N3 O)

Compound Name

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one

IUPAC name

1-[4-(25-dimethylphenyl)piperazin-1-yl]-3-phenyl-2-(1H-pyrrol-1-yl)propan-1-one

SMILES

Cc1cc(N(CC2)CCN2C(C(Cc2ccccc2)n2cccc2)=O)c(C)cc1

InChI

InChI=1S/C25H29N3O/c1-20-10-11-21(2)23(18-20)27-14-16-28(17-15-27)25(29)24(26-12-6-7-13-26)19-22-8-4-3-5-9-22/h3-13,18,24H,14-17,19H2,1-2H3/t24-/m0/s1

InChI Key

ZINNRMKUSWYWQW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14790177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.333

Water Solubility, LogSw

-5.33

Polar Surface Area

23.369

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C737-0458 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C737-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-0458?
Check Price and Availability of C737-0458, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C737-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-0458
  • 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 C737-0458 available by request