F632-0161 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide

F632-0161 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
F632-0161 Screening compound: N-(3-chloro-4-methoxyphenyl)-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 F632-0161
N-(3-chloro-4-methoxyphenyl)-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

F632-0161

Molecular Formula

C21H22ClN3O6S (C21 H22 ClN3 O6 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-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)cc(Cl)c1OC)=O)(=O)=O

InChI

InChI=1S/C21H22ClN3O6S/c1-12-8-15-18(31-11-20(26)24-15)10-19(12)32(28,29)25-7-3-4-16(25)21(27)23-13-5-6-17(30-2)14(22)9-13/h5-6,8-10,16H,3-4,7,11H2,1-2H3,(H,23,27)(H,24,26)/t16-/m0/s1

InChI Key

XXHKAHCGTLDHQM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27180397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.167

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-3.11

Polar Surface Area

96.778

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F632-0161 in Drug Discovery

Included in Screening Libraries

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

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 F632-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-0161?
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What is the minimum amount of F632-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-0161
  • 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 F632-0161 available by request