2613-0040 Screening compound: 1-cyclopentyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol

2613-0040 Screening compound: 1-cyclopentyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol
2613-0040 Screening compound: 1-cyclopentyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2613-0040
1-cyclopentyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-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

2613-0040

Molecular Formula

C21H29NO (C21 H29 NO)

Compound Name

1-cyclopentyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol

IUPAC name

1-cyclopentyl-1-phenyl-5-(piperidin-1-yl)pent-3-yn-1-ol

SMILES

OC(CC#CCN1CCCCC1)(C1CCCC1)c1ccccc1

InChI

InChI=1S/C21H29NO/c23-21(20-13-5-6-14-20,19-11-3-1-4-12-19)15-7-10-18-22-16-8-2-9-17-22/h1,3-4,11-12,20,23H,2,5-6,8-9,13-18H2/t21-/m1/s1

InChI Key

JCTUOTWJAALIQX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01854296

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

311.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-4.18

Polar Surface Area

19.771

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

2613-0040 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2613-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2613-0040?
Check Price and Availability of 2613-0040, 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 2613-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2613-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2613-0040
  • 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 2613-0040 available by request