S650-5388 Screening compound: N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1H-indole-5-carboxamide

S650-5388 Screening compound: N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1H-indole-5-carboxamide
S650-5388 Screening compound: N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S650-5388
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-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

S650-5388

Molecular Formula

C20H18FN3O2 (C20 H18 FN3 O2)

Compound Name

N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1H-indole-5-carboxamide

IUPAC name

N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1H-indole-5-carboxamide

SMILES

Cc(cc(cc1)N(CCC2NC(c(cc3)cc4c3[nH]cc4)=O)C2=O)c1F

InChI

InChI=1S/C20H18FN3O2/c1-12-10-15(3-4-16(12)21)24-9-7-18(20(24)26)23-19(25)14-2-5-17-13(11-14)6-8-22-17/h2-6,8,10-11,18,22H,7,9H2,1H3,(H,23,25)/t18-/m1/s1

InChI Key

BMUZUFAPMNMBMF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29018558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.23

Polar Surface Area

50.895

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

S650-5388 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 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 S650-5388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S650-5388?
Check Price and Availability of S650-5388, 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 S650-5388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S650-5388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S650-5388
  • 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 S650-5388 available by request