V008-2100 Screening compound: 5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate

V008-2100 Screening compound: 5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate
V008-2100 Screening compound: 5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2100
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate

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

V008-2100

Molecular Formula

C20H33NO5S (C20 H33 NO5 S)

Compound Name

5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate

IUPAC name

5-{[33-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate

SMILES

CC(C)N(Cc(cc1)cc(OS(C(C)C)(=O)=O)c1OC)C(CC(C)(C)C)=O

InChI

InChI=1S/C20H33NO5S/c1-14(2)21(19(22)12-20(5,6)7)13-16-9-10-17(25-8)18(11-16)26-27(23,24)15(3)4/h9-11,14-15H,12-13H2,1-8H3

InChI Key

HOVVRWOKUCMCDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-4.04

Polar Surface Area

59.687

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

V008-2100 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V008-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2100?
Check Price and Availability of V008-2100, 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 V008-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2100
  • 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 V008-2100 available by request