V003-2060 Screening compound: 3-({N-[(furan-2-yl)methyl]-2-phenylacetamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

V003-2060 Screening compound: 3-({N-[(furan-2-yl)methyl]-2-phenylacetamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
V003-2060 Screening compound: 3-({N-[(furan-2-yl)methyl]-2-phenylacetamido}methyl)phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2060
3-({N-[(furan-2-yl)methyl]-2-phenylacetamido}methyl)phenyl 4-fluorobenzene-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

V003-2060

Molecular Formula

C26H22FNO5S (C26 H22 FNO5 S)

Compound Name

3-({N-[(furan-2-yl)methyl]-2-phenylacetamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

3-({N-[(furan-2-yl)methyl]-2-phenylacetamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

SMILES

O=C(Cc1ccccc1)N(Cc1ccco1)Cc1cccc(OS(c(cc2)ccc2F)(=O)=O)c1

InChI

InChI=1S/C26H22FNO5S/c27-22-11-13-25(14-12-22)34(30,31)33-23-9-4-8-21(16-23)18-28(19-24-10-5-15-32-24)26(29)17-20-6-2-1-3-7-20/h1-16H,17-19H2

InChI Key

HLKASIBTCBUBRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19742040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

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

4.911

Distribution Coefficient, logD

4.911

Water Solubility, LogSw

-4.96

Polar Surface Area

59.161

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

V003-2060 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 V003-2060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2060?
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What is the minimum amount of V003-2060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2060
  • 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 V003-2060 available by request