V011-3785 Screening compound: 3-({N-[(furan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl ethane-1-sulfonate

V011-3785 Screening compound: 3-({N-[(furan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl ethane-1-sulfonate
V011-3785 Screening compound: 3-({N-[(furan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-3785
3-({N-[(furan-2-yl)methyl]-2-(thiophen-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

V011-3785

Molecular Formula

C20H21NO5S2 (C20 H21 NO5 S2)

Compound Name

3-({N-[(furan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl ethane-1-sulfonate

IUPAC name

3-({N-[(furan-2-yl)methyl]-2-(thiophen-2-yl)acetamido}methyl)phenyl ethane-1-sulfonate

SMILES

CCS(Oc1cc(CN(Cc2ccco2)C(Cc2cccs2)=O)ccc1)(=O)=O

InChI

InChI=1S/C20H21NO5S2/c1-2-28(23,24)26-17-7-3-6-16(12-17)14-21(15-18-8-4-10-25-18)20(22)13-19-9-5-11-27-19/h3-12H,2,13-15H2,1H3

InChI Key

RDSQGUXZYUQDFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19746219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

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

3.092

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.38

Polar Surface Area

59.526

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V011-3785 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V011-3785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-3785?
Check Price and Availability of V011-3785, 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 V011-3785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-3785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-3785
  • 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 V011-3785 available by request