K784-1459 Screening compound: N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide

K784-1459 Screening compound: N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
K784-1459 Screening compound: N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-1459
N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide

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

K784-1459

Molecular Formula

C22H20N2O5S (C22 H20 N2 O5 S)

Compound Name

N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide

IUPAC name

N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide

SMILES

COc1ccc(CSc(ccc(C(Nc2cc(OC)ccc2)=O)c2)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C22H20N2O5S/c1-28-18-9-6-15(7-10-18)14-30-21-11-8-16(12-20(21)24(26)27)22(25)23-17-4-3-5-19(13-17)29-2/h3-13H,14H2,1-2H3,(H,23,25)

InChI Key

WJSHAVIPNRQPMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03019648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.807

Water Solubility, LogSw

-4.66

Polar Surface Area

71.226

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K784-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-1459?
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What is the minimum amount of K784-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-1459
  • 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 K784-1459 available by request