V006-7907 Screening compound: 3-{[(2E)-N-cyclopropyl-3-phenylprop-2-enamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

V006-7907 Screening compound: 3-{[(2E)-N-cyclopropyl-3-phenylprop-2-enamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
V006-7907 Screening compound: 3-{[(2E)-N-cyclopropyl-3-phenylprop-2-enamido]methyl}phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7907
3-{[(2E)-N-cyclopropyl-3-phenylprop-2-enamido]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

V006-7907

Molecular Formula

C25H22FNO4S (C25 H22 FNO4 S)

Compound Name

3-{[(2E)-N-cyclopropyl-3-phenylprop-2-enamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

3-{[(2E)-N-cyclopropyl-3-phenylprop-2-enamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

SMILES

O=C(/C=C/c1ccccc1)N(Cc1cccc(OS(c(cc2)ccc2F)(=O)=O)c1)C1CC1

InChI

InChI=1S/C25H22FNO4S/c26-21-10-14-24(15-11-21)32(29,30)31-23-8-4-7-20(17-23)18-27(22-12-13-22)25(28)16-9-19-5-2-1-3-6-19/h1-11,14-17,22H,12-13,18H2

InChI Key

IGHSMOFLSGNMDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.036

Distribution Coefficient, logD

5.036

Water Solubility, LogSw

-5.04

Polar Surface Area

50.988

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V006-7907 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V006-7907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7907?
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What is the minimum amount of V006-7907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7907
  • 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 V006-7907 available by request