K783-4727 Screening compound: methyl 2-({4-[(4-methylpiperidin-1-yl)sulfonyl]-2-nitrophenyl}sulfanyl)acetate

K783-4727 Screening compound: methyl 2-({4-[(4-methylpiperidin-1-yl)sulfonyl]-2-nitrophenyl}sulfanyl)acetate
K783-4727 Screening compound: methyl 2-({4-[(4-methylpiperidin-1-yl)sulfonyl]-2-nitrophenyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-4727
methyl 2-({4-[(4-methylpiperidin-1-yl)sulfonyl]-2-nitrophenyl}sulfanyl)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

K783-4727

Molecular Formula

C15H20N2O6S2 (C15 H20 N2 O6 S2)

Compound Name

methyl 2-({4-[(4-methylpiperidin-1-yl)sulfonyl]-2-nitrophenyl}sulfanyl)acetate

IUPAC name

methyl 2-({4-[(4-methylpiperidin-1-yl)sulfonyl]-2-nitrophenyl}sulfanyl)acetate

SMILES

CC(CC1)CCN1S(c(cc1)cc([N+]([O-])=O)c1SCC(OC)=O)(=O)=O

InChI

InChI=1S/C15H20N2O6S2/c1-11-5-7-16(8-6-11)25(21,22)12-3-4-14(13(9-12)17(19)20)24-10-15(18)23-2/h3-4,9,11H,5-8,10H2,1-2H3

InChI Key

YVSKVPIWGQVHMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.65

Polar Surface Area

85.609

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with K783-4727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-4727?
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What is the minimum amount of K783-4727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-4727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-4727
  • 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 K783-4727 available by request