S976-1072 Screening compound: 2-[3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-6-methoxy-1H-indole

S976-1072 Screening compound: 2-[3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-6-methoxy-1H-indole
S976-1072 Screening compound: 2-[3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-6-methoxy-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S976-1072
2-[3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-6-methoxy-1H-indole

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

S976-1072

Molecular Formula

C20H24FN3O4 (C20 H24 FN3 O4)

Compound Name

2-[3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-6-methoxy-1H-indole

IUPAC name

2-[3-fluoro-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-6-methoxy-1H-indole

SMILES

COc1cc([nH]c(C(N(CCC2)CC2(C(N2CCOCC2)=O)F)=O)c2)c2cc1

InChI

InChI=1S/C20H24FN3O4/c1-27-15-4-3-14-11-17(22-16(14)12-15)18(25)24-6-2-5-20(21,13-24)19(26)23-7-9-28-10-8-23/h3-4,11-12,22H,2,5-10,13H2,1H3/t20-/m0/s1

InChI Key

LJSQGWAZJLVXAE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32232167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.97

Polar Surface Area

58.270

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S976-1072 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S976-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S976-1072?
Check Price and Availability of S976-1072, 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 S976-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S976-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S976-1072
  • 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 S976-1072 available by request