V025-5549 Screening compound: 5-{[isobutyl(3-methylbutanoyl)amino]methyl}-2-methoxyphenyl 1-ethanesulfonate

V025-5549 Screening compound: 5-{[isobutyl(3-methylbutanoyl)amino]methyl}-2-methoxyphenyl 1-ethanesulfonate
V025-5549 Screening compound: 5-{[isobutyl(3-methylbutanoyl)amino]methyl}-2-methoxyphenyl 1-ethanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5549
5-{[isobutyl(3-methylbutanoyl)amino]methyl}-2-methoxyphenyl 1-ethanesulfonate

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

V025-5549

Molecular Formula

C19H31NO5S (C19 H31 NO5 S)

Compound Name

5-{[isobutyl(3-methylbutanoyl)amino]methyl}-2-methoxyphenyl 1-ethanesulfonate

IUPAC name

2-methoxy-5-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(CN(CC(C)C)C(CC(C)C)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C19H31NO5S/c1-7-26(22,23)25-18-11-16(8-9-17(18)24-6)13-20(12-15(4)5)19(21)10-14(2)3/h8-9,11,14-15H,7,10,12-13H2,1-6H3

InChI Key

HCNRMPARHBCCOI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.67

Polar Surface Area

59.019

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

References: we are preparing a list of scientific research reports with V025-5549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5549?
Check Price and Availability of V025-5549, 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 V025-5549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5549
  • 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 V025-5549 available by request