4401-0080 Screening compound: 9-[2-hydroxy-3-(phenylamino)propyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

4401-0080 Screening compound: 9-[2-hydroxy-3-(phenylamino)propyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
4401-0080 Screening compound: 9-[2-hydroxy-3-(phenylamino)propyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4401-0080
9-[2-hydroxy-3-(phenylamino)propyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-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

4401-0080

Molecular Formula

C22H24N2O2 (C22 H24 N2 O2)

Compound Name

9-[2-hydroxy-3-(phenylamino)propyl]-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

IUPAC name

9-[2-hydroxy-3-(phenylamino)propyl]-6-methyl-2349-tetrahydro-1H-carbazol-1-one

SMILES

Cc(cc1)cc2c1n(CC(CNc1ccccc1)O)c1c2CCCC1=O

InChI

InChI=1S/C22H24N2O2/c1-15-10-11-20-19(12-15)18-8-5-9-21(26)22(18)24(20)14-17(25)13-23-16-6-3-2-4-7-16/h2-4,6-7,10-12,17,23,25H,5,8-9,13-14H2,1H3/t17-/m0/s1

InChI Key

GLHLYEOUWZVPLH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02053365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.37

Polar Surface Area

41.374

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

4401-0080 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4401-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4401-0080?
Check Price and Availability of 4401-0080, 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 4401-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4401-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4401-0080
  • 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 4401-0080 available by request