F632-0137 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

F632-0137 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
F632-0137 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-0137
N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-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

F632-0137

Molecular Formula

C21H21N3O7S (C21 H21 N3 O7 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N(CCC1)C1C(Nc(cc1)cc2c1OCO2)=O)(=O)=O

InChI

InChI=1S/C21H21N3O7S/c1-12-7-14-17(29-10-20(25)23-14)9-19(12)32(27,28)24-6-2-3-15(24)21(26)22-13-4-5-16-18(8-13)31-11-30-16/h4-5,7-9,15H,2-3,6,10-11H2,1H3,(H,22,26)(H,23,25)/t15-/m0/s1

InChI Key

PEBVOVWECSMNPV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27180386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.490

Distribution Coefficient, logD

1.489

Water Solubility, LogSw

-2.51

Polar Surface Area

106.263

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F632-0137 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F632-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0137?
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What is the minimum amount of F632-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0137
  • 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 F632-0137 available by request