4534-3580 Screening compound: N-(9-ethyl-9H-carbazol-3-yl)adamantane-1-carboxamide

4534-3580 Screening compound: N-(9-ethyl-9H-carbazol-3-yl)adamantane-1-carboxamide
4534-3580 Screening compound: N-(9-ethyl-9H-carbazol-3-yl)adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-3580
N-(9-ethyl-9H-carbazol-3-yl)adamantane-1-carboxamide

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

4534-3580

Molecular Formula

C25H28N2O (C25 H28 N2 O)

Compound Name

N-(9-ethyl-9H-carbazol-3-yl)adamantane-1-carboxamide

IUPAC name

N-(9-ethyl-9H-carbazol-3-yl)adamantane-1-carboxamide

SMILES

CCn1c(ccc(NC(C2(CC(C3)C4)CC4CC3C2)=O)c2)c2c2c1cccc2

InChI

InChI=1S/C25H28N2O/c1-2-27-22-6-4-3-5-20(22)21-12-19(7-8-23(21)27)26-24(28)25-13-16-9-17(14-25)11-18(10-16)15-25/h3-8,12,16-18H,2,9-11,13-15H2,1H3,(H,26,28)

InChI Key

COBJDALKAWGABO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02042467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.017

Distribution Coefficient, logD

7.017

Water Solubility, LogSw

-6.01

Polar Surface Area

24.063

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

4534-3580 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4534-3580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-3580?
Check Price and Availability of 4534-3580, 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 4534-3580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-3580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-3580
  • 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 4534-3580 available by request