2613-0035 Screening compound: 5-[benzyl(methyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol

2613-0035 Screening compound: 5-[benzyl(methyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol
2613-0035 Screening compound: 5-[benzyl(methyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2613-0035
5-[benzyl(methyl)amino]-1-cyclopentyl-1-phenylpent-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

2613-0035

Molecular Formula

C24H29NO (C24 H29 NO)

Compound Name

5-[benzyl(methyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol

IUPAC name

5-[benzyl(methyl)amino]-1-cyclopentyl-1-phenylpent-3-yn-1-ol

SMILES

CN(Cc1ccccc1)CC#CCC(C1CCCC1)(c1ccccc1)O

InChI

InChI=1S/C24H29NO/c1-25(20-21-12-4-2-5-13-21)19-11-10-18-24(26,23-16-8-9-17-23)22-14-6-3-7-15-22/h2-7,12-15,23,26H,8-9,16-20H2,1H3/t24-/m1/s1

InChI Key

RZLCKHJLSZXITQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01855041

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

347.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

5.059

Water Solubility, LogSw

-4.79

Polar Surface Area

19.883

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

2613-0035 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2613-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2613-0035?
Check Price and Availability of 2613-0035, 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 2613-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2613-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2613-0035
  • 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 2613-0035 available by request