F951-0851 Screening compound: 1-cyclopropanecarbonyl-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide

F951-0851 Screening compound: 1-cyclopropanecarbonyl-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
F951-0851 Screening compound: 1-cyclopropanecarbonyl-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F951-0851
1-cyclopropanecarbonyl-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole-5-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

F951-0851

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

1-cyclopropanecarbonyl-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide

IUPAC name

1-cyclopropanecarbonyl-N-[(4-methoxyphenyl)methyl]-23-dihydro-1H-indole-5-carboxamide

SMILES

COc1ccc(CNC(c(cc2)cc(CC3)c2N3C(C2CC2)=O)=O)cc1

InChI

InChI=1S/C21H22N2O3/c1-26-18-7-2-14(3-8-18)13-22-20(24)17-6-9-19-16(12-17)10-11-23(19)21(25)15-4-5-15/h2-3,6-9,12,15H,4-5,10-11,13H2,1H3,(H,22,24)

InChI Key

RXKXFIWETXFUBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.965

Water Solubility, LogSw

-3.47

Polar Surface Area

48.398

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F951-0851 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F951-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F951-0851?
Check Price and Availability of F951-0851, 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 F951-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F951-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F951-0851
  • 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 F951-0851 available by request