4964-1975 Screening compound: 1-{4-[(9-ethyl-9H-carbazol-3-yl)methyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one

4964-1975 Screening compound: 1-{4-[(9-ethyl-9H-carbazol-3-yl)methyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one
4964-1975 Screening compound: 1-{4-[(9-ethyl-9H-carbazol-3-yl)methyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-1975
1-{4-[(9-ethyl-9H-carbazol-3-yl)methyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-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

4964-1975

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

1-{4-[(9-ethyl-9H-carbazol-3-yl)methyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one

IUPAC name

1-{4-[(9-ethyl-9H-carbazol-3-yl)methyl]piperazin-1-yl}-2-(3-methylphenoxy)ethan-1-one

SMILES

CCn1c(ccc(CN(CC2)CCN2C(COc2cc(C)ccc2)=O)c2)c2c2c1cccc2

InChI

InChI=1S/C28H31N3O2/c1-3-31-26-10-5-4-9-24(26)25-18-22(11-12-27(25)31)19-29-13-15-30(16-14-29)28(32)20-33-23-8-6-7-21(2)17-23/h4-12,17-18H,3,13-16,19-20H2,1-2H3

InChI Key

DYTIAPDHQWLBAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04396510

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-4.87

Polar Surface Area

28.099

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

4964-1975 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4964-1975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-1975?
Check Price and Availability of 4964-1975, 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 4964-1975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-1975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-1975
  • 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 4964-1975 available by request