C700-0220 Screening compound: 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C700-0220 Screening compound: 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
C700-0220 Screening compound: 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0220
2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

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

C700-0220

Molecular Formula

C24H30N4O7S2 (C24 H30 N4 O7 S2)

Compound Name

2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

IUPAC name

2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(N2CC(NCCc(cc3)ccc3S(N)(=O)=O)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C24H30N4O7S2/c1-17-9-12-27(13-10-17)37(33,34)20-6-7-22-21(14-20)28(24(30)16-35-22)15-23(29)26-11-8-18-2-4-19(5-3-18)36(25,31)32/h2-7,14,17H,8-13,15-16H2,1H3,(H,26,29)(H2,25,31,32)

InChI Key

CAKAOXHJXNNXSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.66

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.762

Distribution Coefficient, logD

0.761

Water Solubility, LogSw

-2.52

Polar Surface Area

130.695

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C700-0220 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C700-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0220?
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What is the minimum amount of C700-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0220
  • 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 C700-0220 available by request