5586-2795 Screening compound: 6-(adamantan-1-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-ol

5586-2795 Screening compound: 6-(adamantan-1-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-ol
5586-2795 Screening compound: 6-(adamantan-1-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-2795
6-(adamantan-1-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-ol

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

5586-2795

Molecular Formula

C22H27NO (C22 H27 NO)

Compound Name

6-(adamantan-1-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-ol

IUPAC name

6-(adamantan-1-yl)-2349-tetrahydro-1H-carbazol-1-ol

SMILES

OC(CCC1)c2c1c(cc(C1(CC(C3)C4)CC4CC3C1)cc1)c1[nH]2

InChI

InChI=1S/C22H27NO/c24-20-3-1-2-17-18-9-16(4-5-19(18)23-21(17)20)22-10-13-6-14(11-22)8-15(7-13)12-22/h4-5,9,13-15,20,23-24H,1-3,6-8,10-12H2/t13?,14?,15?,20-,22?/m0/s1

InChI Key

HISFEXXIRKLTOC-QQHSFYSYSA-N

MDL Number (MFCD)

MFCD01832743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.46

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.643

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-6.08

Polar Surface Area

25.747

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

5586-2795 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 5586-2795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-2795?
Check Price and Availability of 5586-2795, 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 5586-2795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-2795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-2795
  • 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 5586-2795 available by request