V017-6802 Screening compound: {2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}[(furan-2-yl)methyl][2-hydroxy-3-(prop-2-en-1-yloxy)propyl]amine

V017-6802 Screening compound: {2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}[(furan-2-yl)methyl][2-hydroxy-3-(prop-2-en-1-yloxy)propyl]amine
V017-6802 Screening compound: {2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}[(furan-2-yl)methyl][2-hydroxy-3-(prop-2-en-1-yloxy)propyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6802
{2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}[(furan-2-yl)methyl][2-hydroxy-3-(prop-2-en-1-yloxy)propyl]amine

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

V017-6802

Molecular Formula

C22H26ClN3O4 (C22 H26 ClN3 O4)

Compound Name

{2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}[(furan-2-yl)methyl][2-hydroxy-3-(prop-2-en-1-yloxy)propyl]amine

IUPAC name

{2-[3-(3-chloro-4-methylphenyl)-124-oxadiazol-5-yl]ethyl}[(furan-2-yl)methyl][2-hydroxy-3-(prop-2-en-1-yloxy)propyl]amine

SMILES

Cc(ccc(-c1noc(CCN(CC(COCC=C)O)Cc2ccco2)n1)c1)c1Cl

InChI

InChI=1S/C22H26ClN3O4/c1-3-10-28-15-18(27)13-26(14-19-5-4-11-29-19)9-8-21-24-22(25-30-21)17-7-6-16(2)20(23)12-17/h3-7,11-12,18,27H,1,8-10,13-15H2,2H3/t18-/m0/s1

InChI Key

ZKNIZYFLCNKPHY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19869616

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.73

Polar Surface Area

67.993

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with V017-6802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6802?
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What is the minimum amount of V017-6802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6802
  • 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 V017-6802 available by request