8004-9662 Screening compound: N~1~-[(4-benzyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl)methyl]-2,4,6-trimethyl-1-benzenesulfonamide

8004-9662 Screening compound: N~1~-[(4-benzyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl)methyl]-2,4,6-trimethyl-1-benzenesulfonamide
8004-9662 Screening compound: N~1~-[(4-benzyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl)methyl]-2,4,6-trimethyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9662
N~1~-[(4-benzyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl)methyl]-2,4,6-trimethyl-1-benzenesulfonamide

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

8004-9662

Molecular Formula

C25H26N2O5S (C25 H26 N2 O5 S)

Compound Name

N~1~-[(4-benzyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl)methyl]-2,4,6-trimethyl-1-benzenesulfonamide

IUPAC name

N-({4-benzyl-35-dioxo-10-oxa-4-azatricyclo[5.2.1.0^{26}]dec-8-en-1-yl}methyl)-246-trimethylbenzene-1-sulfonamide

SMILES

Cc(cc1C)cc(C)c1S(NCC1(C(C2C(N3Cc4ccccc4)=O)C3=O)OC2C=C1)(=O)=O

InChI

InChI=1S/C25H26N2O5S/c1-15-11-16(2)22(17(3)12-15)33(30,31)26-14-25-10-9-19(32-25)20-21(25)24(29)27(23(20)28)13-18-7-5-4-6-8-18/h4-12,19-21,26H,13-14H2,1-3H3

InChI Key

KVOUSIFQPOOOBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-4.00

Polar Surface Area

79.365

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-6.84

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 8004-9662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9662?
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What is the minimum amount of 8004-9662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9662
  • 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 8004-9662 available by request