C700-0818 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C700-0818 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C700-0818 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0818
N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]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

C700-0818

Molecular Formula

C26H42N4O5S (C26 H42 N4 O5 S)

Compound Name

N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-2-[6-(diethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

CCC(C)N(CCNC(CN1c(cc(cc2)S(N(CC)CC)(=O)=O)c2OCC1=O)=O)C1CCCCC1

InChI

InChI=1S/C26H42N4O5S/c1-5-20(4)29(21-11-9-8-10-12-21)16-15-27-25(31)18-30-23-17-22(36(33,34)28(6-2)7-3)13-14-24(23)35-19-26(30)32/h13-14,17,20-21H,5-12,15-16,18-19H2,1-4H3,(H,27,31)/t20-/m0/s1

InChI Key

PTDSVTBKKYSJKN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14785078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

1.430

Water Solubility, LogSw

-3.94

Polar Surface Area

81.904

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

9.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

C700-0818 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C700-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0818?
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What is the minimum amount of C700-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0818
  • 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 C700-0818 available by request