P095-0019 Screening compound: 1-(4-methyl-1,4-diazepan-1-yl)-3-(1-methyl-1H-indol-6-yl)-1-propanone

P095-0019 Screening compound: 1-(4-methyl-1,4-diazepan-1-yl)-3-(1-methyl-1H-indol-6-yl)-1-propanone
P095-0019 Screening compound: 1-(4-methyl-1,4-diazepan-1-yl)-3-(1-methyl-1H-indol-6-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P095-0019
1-(4-methyl-1,4-diazepan-1-yl)-3-(1-methyl-1H-indol-6-yl)-1-propanone

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

P095-0019

Molecular Formula

C18H25N3O (C18 H25 N3 O)

Compound Name

1-(4-methyl-1,4-diazepan-1-yl)-3-(1-methyl-1H-indol-6-yl)-1-propanone

IUPAC name

1-(4-methyl-14-diazepan-1-yl)-3-(1-methyl-1H-indol-6-yl)propan-1-one

SMILES

Cn(cc1)c2c1ccc(CCC(N1CCN(C)CCC1)=O)c2

InChI

InChI=1S/C18H25N3O/c1-19-9-3-10-21(13-12-19)18(22)7-5-15-4-6-16-8-11-20(2)17(16)14-15/h4,6,8,11,14H,3,5,7,9-10,12-13H2,1-2H3

InChI Key

GOAQDEYQXWRWIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

0.607

Water Solubility, LogSw

-2.42

Polar Surface Area

22.833

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P095-0019 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Hsp90-Targeted Library (11355 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P095-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P095-0019?
Check Price and Availability of P095-0019, 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 P095-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P095-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P095-0019
  • 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 P095-0019 available by request