4401-0053 Screening compound: N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

4401-0053 Screening compound: N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
4401-0053 Screening compound: N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4401-0053
N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

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

4401-0053

Molecular Formula

C25H24N2 (C25 H24 N2)

Compound Name

N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

IUPAC name

N-benzyl-6-phenyl-2349-tetrahydro-1H-carbazol-1-amine

SMILES

C(c1ccccc1)NC(CCC1)c2c1c(cc(cc1)-c3ccccc3)c1[nH]2

InChI

InChI=1S/C25H24N2/c1-3-8-18(9-4-1)17-26-24-13-7-12-21-22-16-20(19-10-5-2-6-11-19)14-15-23(22)27-25(21)24/h1-6,8-11,14-16,24,26-27H,7,12-13,17H2/t24-/m0/s1

InChI Key

JGESULKOTYJLJR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01415993

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.415

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-6.22

Polar Surface Area

21.578

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4401-0053 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4401-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4401-0053?
Check Price and Availability of 4401-0053, 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 4401-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4401-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4401-0053
  • 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 4401-0053 available by request