3381-0689 Screening compound: 9-ethyl-3-({4-[(naphthalen-1-yl)methyl]piperazin-1-yl}methyl)-9H-carbazole

3381-0689 Screening compound: 9-ethyl-3-({4-[(naphthalen-1-yl)methyl]piperazin-1-yl}methyl)-9H-carbazole
3381-0689 Screening compound: 9-ethyl-3-({4-[(naphthalen-1-yl)methyl]piperazin-1-yl}methyl)-9H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0689
9-ethyl-3-({4-[(naphthalen-1-yl)methyl]piperazin-1-yl}methyl)-9H-carbazole

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

3381-0689

Molecular Formula

C30H31N3 (C30 H31 N3)

Compound Name

9-ethyl-3-({4-[(naphthalen-1-yl)methyl]piperazin-1-yl}methyl)-9H-carbazole

IUPAC name

9-ethyl-3-({4-[(naphthalen-1-yl)methyl]piperazin-1-yl}methyl)-9H-carbazole

SMILES

CCn1c(ccc(CN2CCN(Cc3cccc4ccccc34)CC2)c2)c2c2c1cccc2

InChI

InChI=1S/C30H31N3/c1-2-33-29-13-6-5-12-27(29)28-20-23(14-15-30(28)33)21-31-16-18-32(19-17-31)22-25-10-7-9-24-8-3-4-11-26(24)25/h3-15,20H,2,16-19,21-22H2,1H3

InChI Key

KQUKXRKJVWAHOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829089

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

433.6

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.360

Distribution Coefficient, logD

6.241

Water Solubility, LogSw

-6.78

Polar Surface Area

7.940

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

3381-0689 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3381-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0689?
Check Price and Availability of 3381-0689, 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 3381-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0689
  • 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 3381-0689 available by request