V025-4306 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-4-chlorophenyl ethane-1-sulfonate

V025-4306 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-4-chlorophenyl ethane-1-sulfonate
V025-4306 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-4-chlorophenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4306
2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-4-chlorophenyl ethane-1-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

V025-4306

Molecular Formula

C18H29ClN2O4S (C18 H29 ClN2 O4 S)

Compound Name

2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-4-chlorophenyl ethane-1-sulfonate

IUPAC name

2-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}-4-chlorophenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc1)c(CN(CC(C)C)C(NC(C)(C)C)=O)cc1Cl)(=O)=O

InChI

InChI=1S/C18H29ClN2O4S/c1-7-26(23,24)25-16-9-8-15(19)10-14(16)12-21(11-13(2)3)17(22)20-18(4,5)6/h8-10,13H,7,11-12H2,1-6H3,(H,20,22)

InChI Key

NQBKJSXRDZOVTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.58

Polar Surface Area

60.883

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with V025-4306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4306?
Check Price and Availability of V025-4306, 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 V025-4306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4306
  • 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 V025-4306 available by request