V002-5474 Screening compound: 5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate

V002-5474 Screening compound: 5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate
V002-5474 Screening compound: 5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5474
5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl 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

V002-5474

Molecular Formula

C19H31NO5S (C19 H31 NO5 S)

Compound Name

5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate

IUPAC name

5-{[N-(butan-2-yl)-33-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate

SMILES

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

InChI

InChI=1S/C19H31NO5S/c1-8-14(2)20(18(21)12-19(3,4)5)13-15-9-10-16(24-6)17(11-15)25-26(7,22)23/h9-11,14H,8,12-13H2,1-7H3/t14-/m0/s1

InChI Key

KOBRELHFSSDGIB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD19747495

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

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.71

Polar Surface Area

59.388

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

V002-5474 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 V002-5474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5474?
Check Price and Availability of V002-5474, 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 V002-5474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5474
  • 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 V002-5474 available by request