C856-0222 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}acetamide

C856-0222 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}acetamide
C856-0222 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C856-0222
2-(2-benzoyl-1H-pyrrol-1-yl)-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}acetamide

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

C856-0222

Molecular Formula

C28H34N4O2 (C28 H34 N4 O2)

Compound Name

2-(2-benzoyl-1H-pyrrol-1-yl)-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}acetamide

IUPAC name

2-(2-benzoyl-1H-pyrrol-1-yl)-N-{3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}acetamide

SMILES

Cc1cc(N2CCN(CCCNC(Cn3c(C(c4ccccc4)=O)ccc3)=O)CC2)c(C)cc1

InChI

InChI=1S/C28H34N4O2/c1-22-11-12-23(2)26(20-22)31-18-16-30(17-19-31)14-7-13-29-27(33)21-32-15-6-10-25(32)28(34)24-8-4-3-5-9-24/h3-6,8-12,15,20H,7,13-14,16-19,21H2,1-2H3,(H,29,33)

InChI Key

SBWNJRKCQFOANF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-4.11

Polar Surface Area

46.550

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C856-0222 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C856-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C856-0222?
Check Price and Availability of C856-0222, 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 C856-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C856-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C856-0222
  • 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 C856-0222 available by request