3336-4260 Screening compound: 4-fluoro-N~1~-(8-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

3336-4260 Screening compound: 4-fluoro-N~1~-(8-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide
3336-4260 Screening compound: 4-fluoro-N~1~-(8-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3336-4260
4-fluoro-N~1~-(8-methyl-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

3336-4260

Molecular Formula

C19H18FNO3S (C19 H18 FNO3 S)

Compound Name

4-fluoro-N~1~-(8-methyl-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

IUPAC name

4-fluoro-N-{12-methyl-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}benzene-1-sulfonamide

SMILES

CC(CC1)Cc2c1oc(cc1)c2cc1NS(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C19H18FNO3S/c1-12-2-8-18-16(10-12)17-11-14(5-9-19(17)24-18)21-25(22,23)15-6-3-13(20)4-7-15/h3-7,9,11-12,21H,2,8,10H2,1H3/t12-/m1/s1

InChI Key

QZGYOSUZJHMTFP-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD02084691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.776

Water Solubility, LogSw

-4.71

Polar Surface Area

49.004

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-10.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

3336-4260 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3336-4260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3336-4260?
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What is the minimum amount of 3336-4260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3336-4260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3336-4260
  • 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 3336-4260 available by request