F632-1231 Screening compound: 1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-ethyl-N-phenylpyrrolidine-2-carboxamide

F632-1231 Screening compound: 1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-ethyl-N-phenylpyrrolidine-2-carboxamide
F632-1231 Screening compound: 1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-ethyl-N-phenylpyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F632-1231
1-[(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-ethyl-N-phenylpyrrolidine-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

F632-1231

Molecular Formula

C21H22ClN3O5S (C21 H22 ClN3 O5 S)

Compound Name

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

IUPAC name

1-[(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]-N-ethyl-N-phenylpyrrolidine-2-carboxamide

SMILES

CCN(C(C(CCC1)N1S(c(cc(c(N1)c2)OCC1=O)c2Cl)(=O)=O)=O)c1ccccc1

InChI

InChI=1S/C21H22ClN3O5S/c1-2-24(14-7-4-3-5-8-14)21(27)17-9-6-10-25(17)31(28,29)19-12-18-16(11-15(19)22)23-20(26)13-30-18/h3-5,7-8,11-12,17H,2,6,9-10,13H2,1H3,(H,23,26)/t17-/m0/s1

InChI Key

MQZPMXWKOXVAPN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27180469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.275

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-3.32

Polar Surface Area

81.404

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F632-1231 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F632-1231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F632-1231?
Check Price and Availability of F632-1231, 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 F632-1231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F632-1231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F632-1231
  • 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 F632-1231 available by request