V028-0183 Screening compound: 4-{[sec-butyl(3,5,5-trimethylhexanoyl)amino]methyl}phenyl 1-ethanesulfonate

V028-0183 Screening compound: 4-{[sec-butyl(3,5,5-trimethylhexanoyl)amino]methyl}phenyl 1-ethanesulfonate
V028-0183 Screening compound: 4-{[sec-butyl(3,5,5-trimethylhexanoyl)amino]methyl}phenyl 1-ethanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0183
4-{[sec-butyl(3,5,5-trimethylhexanoyl)amino]methyl}phenyl 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

V028-0183

Molecular Formula

C22H37NO4S (C22 H37 NO4 S)

Compound Name

4-{[sec-butyl(3,5,5-trimethylhexanoyl)amino]methyl}phenyl 1-ethanesulfonate

IUPAC name

4-{[N-(butan-2-yl)-355-trimethylhexanamido]methyl}phenyl ethane-1-sulfonate

SMILES

CCC(C)N(Cc(cc1)ccc1OS(CC)(=O)=O)C(CC(C)CC(C)(C)C)=O

InChI

InChI=1S/C22H37NO4S/c1-8-18(4)23(21(24)14-17(3)15-22(5,6)7)16-19-10-12-20(13-11-19)27-28(25,26)9-2/h10-13,17-18H,8-9,14-16H2,1-7H3

InChI Key

PSTGLHCLWZWFBM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-4.53

Polar Surface Area

50.631

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.18

References: we are preparing a list of scientific research reports with V028-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0183?
Check Price and Availability of V028-0183, 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 V028-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0183
  • 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 V028-0183 available by request