8016-9908 Screening compound: N~6~-[2-(4,5-dimethoxy-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}benzyl)-4,5-dimethoxyphenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

8016-9908 Screening compound: N~6~-[2-(4,5-dimethoxy-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}benzyl)-4,5-dimethoxyphenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
8016-9908 Screening compound: N~6~-[2-(4,5-dimethoxy-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}benzyl)-4,5-dimethoxyphenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9908
N~6~-[2-(4,5-dimethoxy-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}benzyl)-4,5-dimethoxyphenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

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

8016-9908

Molecular Formula

C33H32N4O12S2 (C33 H32 N4 O12 S2)

Compound Name

N~6~-[2-(4,5-dimethoxy-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}benzyl)-4,5-dimethoxyphenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

N-(2-{[45-dimethoxy-2-(3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamido)phenyl]methyl}-45-dimethoxyphenyl)-3-oxo-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

COc(c(OC)c1)cc(Cc(cc(c(OC)c2)OC)c2NS(c(cc2)cc(N3)c2OCC3=O)(=O)=O)c1NS(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C33H32N4O12S2/c1-44-28-10-18(22(14-30(28)46-3)36-50(40,41)20-5-7-26-24(12-20)34-32(38)16-48-26)9-19-11-29(45-2)31(47-4)15-23(19)37-51(42,43)21-6-8-27-25(13-21)35-33(39)17-49-27/h5-8,10-15,36-37H,9,16-17H2,1-4H3,(H,34,38)(H,35,39)

InChI Key

HUXCYYPENYKZGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

740.77

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.99

Polar Surface Area

176.932

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.21

References: we are preparing a list of scientific research reports with 8016-9908 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9908
  • 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 8016-9908 available by request