V017-4490 Screening compound: 1-(allyl{[3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-(2-furylmethoxy)-2-propanol

V017-4490 Screening compound: 1-(allyl{[3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-(2-furylmethoxy)-2-propanol
V017-4490 Screening compound: 1-(allyl{[3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-(2-furylmethoxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4490
1-(allyl{[3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-(2-furylmethoxy)-2-propanol

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

V017-4490

Molecular Formula

C21H25ClN2O4 (C21 H25 ClN2 O4)

Compound Name

1-(allyl{[3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-(2-furylmethoxy)-2-propanol

IUPAC name

{[3-(4-chlorophenyl)-45-dihydro-12-oxazol-5-yl]methyl}({3-[(furan-2-yl)methoxy]-2-hydroxypropyl})(prop-2-en-1-yl)amine

SMILES

C=CCN(CC(COCc1ccco1)O)CC(C1)ON=C1c(cc1)ccc1Cl

InChI

InChI=1S/C21H25ClN2O4/c1-2-9-24(12-18(25)14-26-15-19-4-3-10-27-19)13-20-11-21(23-28-20)16-5-7-17(22)8-6-16/h2-8,10,18,20,25H,1,9,11-15H2

InChI Key

IRDYYLGWCOZCJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869440

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

3.726

Water Solubility, LogSw

-4.33

Polar Surface Area

59.567

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V017-4490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4490?
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What is the minimum amount of V017-4490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4490
  • 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 V017-4490 available by request