V012-4638 Screening compound: 3-{[2,2-dichloro-N-(propan-2-yl)acetamido]methyl}phenyl ethane-1-sulfonate

V012-4638 Screening compound: 3-{[2,2-dichloro-N-(propan-2-yl)acetamido]methyl}phenyl ethane-1-sulfonate
V012-4638 Screening compound: 3-{[2,2-dichloro-N-(propan-2-yl)acetamido]methyl}phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4638
3-{[2,2-dichloro-N-(propan-2-yl)acetamido]methyl}phenyl 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

V012-4638

Molecular Formula

C14H19Cl2NO4S (C14 H19 Cl2 NO4 S)

Compound Name

3-{[2,2-dichloro-N-(propan-2-yl)acetamido]methyl}phenyl ethane-1-sulfonate

IUPAC name

3-{[22-dichloro-N-(propan-2-yl)acetamido]methyl}phenyl ethane-1-sulfonate

SMILES

CCS(Oc1cccc(CN(C(C)C)C(C(Cl)Cl)=O)c1)(=O)=O

InChI

InChI=1S/C14H19Cl2NO4S/c1-4-22(19,20)21-12-7-5-6-11(8-12)9-17(10(2)3)14(18)13(15)16/h5-8,10,13H,4,9H2,1-3H3

InChI Key

HVLBFEZSYOSRDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19755349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-2.88

Polar Surface Area

51.573

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V012-4638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4638?
Check Price and Availability of V012-4638, 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 V012-4638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4638
  • 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 V012-4638 available by request