6048-0147 Screening compound: 1-(2-ethoxyphenyl)-4-(9H-xanthene-9-carbonyl)piperazine

6048-0147 Screening compound: 1-(2-ethoxyphenyl)-4-(9H-xanthene-9-carbonyl)piperazine
6048-0147 Screening compound: 1-(2-ethoxyphenyl)-4-(9H-xanthene-9-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0147
1-(2-ethoxyphenyl)-4-(9H-xanthene-9-carbonyl)piperazine

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

6048-0147

Molecular Formula

C26H26N2O3 (C26 H26 N2 O3)

Compound Name

1-(2-ethoxyphenyl)-4-(9H-xanthene-9-carbonyl)piperazine

IUPAC name

1-(2-ethoxyphenyl)-4-(9H-xanthene-9-carbonyl)piperazine

SMILES

CCOc(cccc1)c1N(CC1)CCN1C(C1c(cccc2)c2Oc2c1cccc2)=O

InChI

InChI=1S/C26H26N2O3/c1-2-30-24-14-8-5-11-21(24)27-15-17-28(18-16-27)26(29)25-19-9-3-6-12-22(19)31-23-13-7-4-10-20(23)25/h3-14,25H,2,15-18H2,1H3

InChI Key

QQGMIWQZPMKFNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01358204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

-0.928

Water Solubility, LogSw

-4.42

Polar Surface Area

33.870

Acid Dissociation Constant (pKa)

1.89

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

6048-0147 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6048-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0147?
Check Price and Availability of 6048-0147, 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 6048-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0147
  • 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 6048-0147 available by request