Y010-0514 Screening compound: N~1~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-fluoro-1-benzenesulfonamide

Y010-0514 Screening compound: N~1~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-fluoro-1-benzenesulfonamide
Y010-0514 Screening compound: N~1~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-fluoro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0514
N~1~-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-fluoro-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

Y010-0514

Molecular Formula

C20H18FNO4S (C20 H18 FNO4 S)

Compound Name

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

IUPAC name

N-{1111-dimethyl-13-oxo-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}-4-fluorobenzene-1-sulfonamide

SMILES

CC(C)(Cc1c2c(cc(cc3)NS(c(cc4)ccc4F)(=O)=O)c3o1)CC2=O

InChI

InChI=1S/C20H18FNO4S/c1-20(2)10-16(23)19-15-9-13(5-8-17(15)26-18(19)11-20)22-27(24,25)14-6-3-12(21)4-7-14/h3-9,22H,10-11H2,1-2H3

InChI Key

NZYJBUDOIACQKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

3.951

Water Solubility, LogSw

-4.41

Polar Surface Area

62.251

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-12.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y010-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0514?
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What is the minimum amount of Y010-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0514
  • 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 Y010-0514 available by request