8017-0679 Screening compound: [5-(1-adamantyl)-2-methyl-3-furyl](piperidino)methanone

8017-0679 Screening compound: [5-(1-adamantyl)-2-methyl-3-furyl](piperidino)methanone
8017-0679 Screening compound: [5-(1-adamantyl)-2-methyl-3-furyl](piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0679
[5-(1-adamantyl)-2-methyl-3-furyl](piperidino)methanone

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

8017-0679

Molecular Formula

C21H29NO2 (C21 H29 NO2)

Compound Name

[5-(1-adamantyl)-2-methyl-3-furyl](piperidino)methanone

IUPAC name

1-[5-(adamantan-1-yl)-2-methylfuran-3-carbonyl]piperidine

SMILES

Cc(oc(C1(CC(C2)C3)CC3CC2C1)c1)c1C(N1CCCCC1)=O

InChI

InChI=1S/C21H29NO2/c1-14-18(20(23)22-5-3-2-4-6-22)10-19(24-14)21-11-15-7-16(12-21)9-17(8-15)13-21/h10,15-17H,2-9,11-13H2,1H3

InChI Key

GQUYKOLUMLMIOR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

5.049

Water Solubility, LogSw

-4.61

Polar Surface Area

24.974

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.19

8017-0679 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 8017-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0679?
Check Price and Availability of 8017-0679, 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 8017-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0679
  • 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 8017-0679 available by request