C700-0819 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C700-0819 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C700-0819 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0819
N-{3-[benzyl(butyl)amino]propyl}-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

C700-0819

Molecular Formula

C28H40N4O5S (C28 H40 N4 O5 S)

Compound Name

N-{3-[benzyl(butyl)amino]propyl}-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-2-[6-(diethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

CCCCN(CCCNC(CN1c(cc(cc2)S(N(CC)CC)(=O)=O)c2OCC1=O)=O)Cc1ccccc1

InChI

InChI=1S/C28H40N4O5S/c1-4-7-17-30(20-23-12-9-8-10-13-23)18-11-16-29-27(33)21-32-25-19-24(38(35,36)31(5-2)6-3)14-15-26(25)37-22-28(32)34/h8-10,12-15,19H,4-7,11,16-18,20-22H2,1-3H3,(H,29,33)

InChI Key

LLZNNIZGMYYFMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

1.514

Water Solubility, LogSw

-3.49

Polar Surface Area

83.418

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C700-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0819?
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What is the minimum amount of C700-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0819
  • 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 C700-0819 available by request