8013-7875 Screening compound: 2-bromo-N~1~-dibenzo[b,d]furan-3-yl-4,5-dimethoxy-1-benzenesulfonamide

8013-7875 Screening compound: 2-bromo-N~1~-dibenzo[b,d]furan-3-yl-4,5-dimethoxy-1-benzenesulfonamide
8013-7875 Screening compound: 2-bromo-N~1~-dibenzo[b,d]furan-3-yl-4,5-dimethoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7875
2-bromo-N~1~-dibenzo[b,d]furan-3-yl-4,5-dimethoxy-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

8013-7875

Molecular Formula

C20H16BrNO5S (C20 H16 BrNO5 S)

Compound Name

2-bromo-N~1~-dibenzo[b,d]furan-3-yl-4,5-dimethoxy-1-benzenesulfonamide

IUPAC name

2-bromo-45-dimethoxy-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}benzene-1-sulfonamide

SMILES

COc(c(OC)c1)cc(S(Nc(cc2)cc3c2c(cccc2)c2o3)(=O)=O)c1Br

InChI

InChI=1S/C20H16BrNO5S/c1-25-18-10-15(21)20(11-19(18)26-2)28(23,24)22-12-7-8-14-13-5-3-4-6-16(13)27-17(14)9-12/h3-11,22H,1-2H3

InChI Key

VYBYXLNKXZETSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.48

Polar Surface Area

64.064

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-9.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8013-7875 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-7875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7875?
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What is the minimum amount of 8013-7875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7875
  • 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 8013-7875 available by request