7287-0145 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-4-fluoro-2-methyl-1-benzenesulfonamide

7287-0145 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-4-fluoro-2-methyl-1-benzenesulfonamide
7287-0145 Screening compound: N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-4-fluoro-2-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0145
N~1~-[8-(tert-butyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-4-fluoro-2-methyl-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

7287-0145

Molecular Formula

C23H26FNO3S (C23 H26 FNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(CC1)Cc2c1oc(cc1)c2cc1NS(c(cc1)c(C)cc1F)(=O)=O

InChI

InChI=1S/C23H26FNO3S/c1-14-11-16(24)6-10-22(14)29(26,27)25-17-7-9-21-19(13-17)18-12-15(23(2,3)4)5-8-20(18)28-21/h6-7,9-11,13,15,25H,5,8,12H2,1-4H3/t15-/m1/s1

InChI Key

BELJGJNUIDGSSD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06402379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.438

Distribution Coefficient, logD

5.968

Water Solubility, LogSw

-5.81

Polar Surface Area

49.004

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

-11.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

7287-0145 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 7287-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0145?
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What is the minimum amount of 7287-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0145
  • 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 7287-0145 available by request