V013-0104 Screening compound: 4-{[N-(3-methoxypropyl)4-methylbenzenesulfonamido]methyl}phenyl methanesulfonate

V013-0104 Screening compound: 4-{[N-(3-methoxypropyl)4-methylbenzenesulfonamido]methyl}phenyl methanesulfonate
V013-0104 Screening compound: 4-{[N-(3-methoxypropyl)4-methylbenzenesulfonamido]methyl}phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0104
4-{[N-(3-methoxypropyl)4-methylbenzenesulfonamido]methyl}phenyl methanesulfonate

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

V013-0104

Molecular Formula

C19H25NO6S2 (C19 H25 NO6 S2)

Compound Name

4-{[N-(3-methoxypropyl)4-methylbenzenesulfonamido]methyl}phenyl methanesulfonate

IUPAC name

4-{[N-(3-methoxypropyl)4-methylbenzenesulfonamido]methyl}phenyl methanesulfonate

SMILES

Cc(cc1)ccc1S(N(CCCOC)Cc(cc1)ccc1OS(C)(=O)=O)(=O)=O

InChI

InChI=1S/C19H25NO6S2/c1-16-5-11-19(12-6-16)28(23,24)20(13-4-14-25-2)15-17-7-9-18(10-8-17)26-27(3,21)22/h5-12H,4,13-15H2,1-3H3

InChI Key

SLBSHWZPRNDVIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19753090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-3.26

Polar Surface Area

76.084

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with V013-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0104?
Check Price and Availability of V013-0104, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V013-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0104
  • 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 V013-0104 available by request