8005-1885 Screening compound: N~1~-{[4-(4-chlorophenyl)-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

8005-1885 Screening compound: N~1~-{[4-(4-chlorophenyl)-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
8005-1885 Screening compound: N~1~-{[4-(4-chlorophenyl)-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 8005-1885
N~1~-{[4-(4-chlorophenyl)-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

8005-1885

Molecular Formula

C24H23ClN2O5S (C24 H23 ClN2 O5 S)

Compound Name

N~1~-{[4-(4-chlorophenyl)-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-(4-chlorophenyl)-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(N3c(cc4)ccc4Cl)=O)C3=O)OC2C=C1)(=O)=O

InChI

InChI=1S/C24H23ClN2O5S/c1-13-10-14(2)21(15(3)11-13)33(30,31)26-12-24-9-8-18(32-24)19-20(24)23(29)27(22(19)28)17-6-4-16(25)5-7-17/h4-11,18-20,26H,12H2,1-3H3

InChI Key

JJIOOQFUBFXTKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.26

Polar Surface Area

78.754

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-6.14

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

8005-1885 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1885?
Check Price and Availability of 8005-1885, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1885
  • 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 8005-1885 available by request