P087-2049 Screening compound: N-(1-methylpiperidin-4-yl)-1-propanoyl-2,3-dihydro-1H-indole-4-carboxamide

P087-2049 Screening compound: N-(1-methylpiperidin-4-yl)-1-propanoyl-2,3-dihydro-1H-indole-4-carboxamide
P087-2049 Screening compound: N-(1-methylpiperidin-4-yl)-1-propanoyl-2,3-dihydro-1H-indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P087-2049
N-(1-methylpiperidin-4-yl)-1-propanoyl-2,3-dihydro-1H-indole-4-carboxamide

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

P087-2049

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

N-(1-methylpiperidin-4-yl)-1-propanoyl-2,3-dihydro-1H-indole-4-carboxamide

IUPAC name

N-(1-methylpiperidin-4-yl)-1-propanoyl-23-dihydro-1H-indole-4-carboxamide

SMILES

CCC(N1c2cccc(C(NC3CCN(C)CC3)=O)c2CC1)=O

InChI

InChI=1S/C18H25N3O2/c1-3-17(22)21-12-9-14-15(5-4-6-16(14)21)18(23)19-13-7-10-20(2)11-8-13/h4-6,13H,3,7-12H2,1-2H3,(H,19,23)

InChI Key

JQCDCLOSDNVJSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

-0.882

Water Solubility, LogSw

-2.37

Polar Surface Area

43.277

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

9.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

P087-2049 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with P087-2049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P087-2049?
Check Price and Availability of P087-2049, 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 P087-2049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P087-2049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P087-2049
  • 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 P087-2049 available by request