K784-5067 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-nitrobenzenesulfonamido}phenyl)acetate

K784-5067 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-nitrobenzenesulfonamido}phenyl)acetate
K784-5067 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-nitrobenzenesulfonamido}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5067
methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-nitrobenzenesulfonamido}phenyl)acetate

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

K784-5067

Molecular Formula

C22H19FN2O6S (C22 H19 FN2 O6 S)

Compound Name

methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-nitrobenzenesulfonamido}phenyl)acetate

IUPAC name

methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-nitrobenzenesulfonamido}phenyl)acetate

SMILES

COC(Cc(cc1)ccc1N(Cc(cccc1)c1F)S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O

InChI

InChI=1S/C22H19FN2O6S/c1-31-22(26)14-16-6-8-18(9-7-16)24(15-17-4-2-3-5-21(17)23)32(29,30)20-12-10-19(11-13-20)25(27)28/h2-13H,14-15H2,1H3

InChI Key

HRWSUBGSJOMAEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.40

Polar Surface Area

85.753

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

-11.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K784-5067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5067?
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What is the minimum amount of K784-5067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5067
  • 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 K784-5067 available by request