V006-5621 Screening compound: 4-{[1-(2H-1,3-benzodioxol-5-yl)-N-cyclopropylformamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

V006-5621 Screening compound: 4-{[1-(2H-1,3-benzodioxol-5-yl)-N-cyclopropylformamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
V006-5621 Screening compound: 4-{[1-(2H-1,3-benzodioxol-5-yl)-N-cyclopropylformamido]methyl}phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5621
4-{[1-(2H-1,3-benzodioxol-5-yl)-N-cyclopropylformamido]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

V006-5621

Molecular Formula

C24H20FNO6S (C24 H20 FNO6 S)

Compound Name

4-{[1-(2H-1,3-benzodioxol-5-yl)-N-cyclopropylformamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

4-{[1-(2H-13-benzodioxol-5-yl)-N-cyclopropylformamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

SMILES

O=C(c(cc1)cc2c1OCO2)N(Cc(cc1)ccc1OS(c(cc1)ccc1F)(=O)=O)C1CC1

InChI

InChI=1S/C24H20FNO6S/c25-18-4-10-21(11-5-18)33(28,29)32-20-8-1-16(2-9-20)14-26(19-6-7-19)24(27)17-3-12-22-23(13-17)31-15-30-22/h1-5,8-13,19H,6-7,14-15H2

InChI Key

HJGVQOBWALWLIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.45

Polar Surface Area

68.631

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

V006-5621 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-5621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5621?
Check Price and Availability of V006-5621, 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 V006-5621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5621
  • 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 V006-5621 available by request