V002-5535 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-4-chlorophenyl ethane-1-sulfonate

V002-5535 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-4-chlorophenyl ethane-1-sulfonate
V002-5535 Screening compound: 2-{[(tert-butylcarbamoyl)(2-methoxyethyl)amino]methyl}-4-chlorophenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5535
2-{[(tert-butylcarbamoyl)(2-methoxyethyl)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

V002-5535

Molecular Formula

C17H27ClN2O5S (C17 H27 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H27ClN2O5S/c1-6-26(22,23)25-15-8-7-14(18)11-13(15)12-20(9-10-24-5)16(21)19-17(2,3)4/h7-8,11H,6,9-10,12H2,1-5H3,(H,19,21)

InChI Key

VMDIDJSXNUXATA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19787522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.56

Polar Surface Area

69.204

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

References: we are preparing a list of scientific research reports with V002-5535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5535?
Check Price and Availability of V002-5535, 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 V002-5535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5535
  • 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 V002-5535 available by request