4161-2733 Screening compound: 1,5-bis(2,3-dihydro-1H-indol-1-yl)-3-hexylpentane-1,5-dione

4161-2733 Screening compound: 1,5-bis(2,3-dihydro-1H-indol-1-yl)-3-hexylpentane-1,5-dione
4161-2733 Screening compound: 1,5-bis(2,3-dihydro-1H-indol-1-yl)-3-hexylpentane-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-2733
1,5-bis(2,3-dihydro-1H-indol-1-yl)-3-hexylpentane-1,5-dione

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

4161-2733

Molecular Formula

C27H34N2O2 (C27 H34 N2 O2)

Compound Name

1,5-bis(2,3-dihydro-1H-indol-1-yl)-3-hexylpentane-1,5-dione

IUPAC name

15-bis(23-dihydro-1H-indol-1-yl)-3-hexylpentane-15-dione

SMILES

CCCCCCC(CC(N(CC1)c2c1cccc2)=O)CC(N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C27H34N2O2/c1-2-3-4-5-10-21(19-26(30)28-17-15-22-11-6-8-13-24(22)28)20-27(31)29-18-16-23-12-7-9-14-25(23)29/h6-9,11-14,21H,2-5,10,15-20H2,1H3

InChI Key

TXSSHAQLVRJTTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.396

Distribution Coefficient, logD

6.396

Water Solubility, LogSw

-5.75

Polar Surface Area

30.813

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

4161-2733 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4161-2733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-2733?
Check Price and Availability of 4161-2733, 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 4161-2733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-2733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-2733
  • 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 4161-2733 available by request