V025-5555 Screening compound: 5-{[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]methyl}-2-methoxyphenyl methanesulfonate

V025-5555 Screening compound: 5-{[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]methyl}-2-methoxyphenyl methanesulfonate
V025-5555 Screening compound: 5-{[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]methyl}-2-methoxyphenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5555
5-{[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]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

V025-5555

Molecular Formula

C18H28N2O5S (C18 H28 N2 O5 S)

Compound Name

5-{[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]methyl}-2-methoxyphenyl methanesulfonate

IUPAC name

5-{[(tert-butylcarbamoyl)(cyclopropylmethyl)amino]methyl}-2-methoxyphenyl methanesulfonate

SMILES

CC(C)(C)NC(N(CC1CC1)Cc(cc1)cc(OS(C)(=O)=O)c1OC)=O

InChI

InChI=1S/C18H28N2O5S/c1-18(2,3)19-17(21)20(11-13-6-7-13)12-14-8-9-15(24-4)16(10-14)25-26(5,22)23/h8-10,13H,6-7,11-12H2,1-5H3,(H,19,21)

InChI Key

YBIJEWGXERTVNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-3.37

Polar Surface Area

69.805

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

V025-5555 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 V025-5555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5555?
Check Price and Availability of V025-5555, 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 V025-5555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5555
  • 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 V025-5555 available by request