3461-0649 Screening compound: 4-chloro-3-nitro-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

3461-0649 Screening compound: 4-chloro-3-nitro-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide
3461-0649 Screening compound: 4-chloro-3-nitro-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-0649
4-chloro-3-nitro-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-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

3461-0649

Molecular Formula

C18H13ClN2O6S (C18 H13 ClN2 O6 S)

Compound Name

4-chloro-3-nitro-N~1~-(9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

IUPAC name

4-chloro-3-nitro-N-{13-oxo-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}benzene-1-sulfonamide

SMILES

[O-][N+](c(cc(cc1)S(Nc(cc2)cc3c2oc(CCC2)c3C2=O)(=O)=O)c1Cl)=O

InChI

InChI=1S/C18H13ClN2O6S/c19-13-6-5-11(9-14(13)21(23)24)28(25,26)20-10-4-7-16-12(8-10)18-15(22)2-1-3-17(18)27-16/h4-9,20H,1-3H2

InChI Key

BSAAFSCNILLVKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.83

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-4.63

Polar Surface Area

95.332

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

-14.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3461-0649 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3461-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-0649?
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What is the minimum amount of 3461-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-0649
  • 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 3461-0649 available by request