2613-0010 Screening compound: 5-(dibenzylamino)-1,1-diphenylpent-3-yn-1-ol

2613-0010 Screening compound: 5-(dibenzylamino)-1,1-diphenylpent-3-yn-1-ol
2613-0010 Screening compound: 5-(dibenzylamino)-1,1-diphenylpent-3-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2613-0010
5-(dibenzylamino)-1,1-diphenylpent-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

2613-0010

Molecular Formula

C31H29NO (C31 H29 NO)

Compound Name

5-(dibenzylamino)-1,1-diphenylpent-3-yn-1-ol

IUPAC name

5-(dibenzylamino)-11-diphenylpent-3-yn-1-ol

SMILES

OC(CC#CCN(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C31H29NO/c33-31(29-19-9-3-10-20-29,30-21-11-4-12-22-30)23-13-14-24-32(25-27-15-5-1-6-16-27)26-28-17-7-2-8-18-28/h1-12,15-22,33H,23-26H2

InChI Key

DYNBIXHMDUFZFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01555139

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.074

Distribution Coefficient, logD

6.072

Water Solubility, LogSw

-6.11

Polar Surface Area

18.921

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

2613-0010 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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

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

References: we are preparing a list of scientific research reports with 2613-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2613-0010?
Check Price and Availability of 2613-0010, 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 2613-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2613-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2613-0010
  • 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 2613-0010 available by request