V012-5129 Screening compound: 1-(ALLYLOXY)-3-[{[3-(1,3-BENZODIOXOL-5-YL)-4,5-DIHYDRO-5-ISOXAZOLYL]METHYL}(2-CHLOROBENZYL)AMINO]-2-PROPANOL

V012-5129 Screening compound: 1-(ALLYLOXY)-3-[{[3-(1,3-BENZODIOXOL-5-YL)-4,5-DIHYDRO-5-ISOXAZOLYL]METHYL}(2-CHLOROBENZYL)AMINO]-2-PROPANOL
V012-5129 Screening compound: 1-(ALLYLOXY)-3-[{[3-(1,3-BENZODIOXOL-5-YL)-4,5-DIHYDRO-5-ISOXAZOLYL]METHYL}(2-CHLOROBENZYL)AMINO]-2-PROPANOL alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5129
1-(ALLYLOXY)-3-[{[3-(1,3-BENZODIOXOL-5-YL)-4,5-DIHYDRO-5-ISOXAZOLYL]METHYL}(2-CHLOROBENZYL)AMINO]-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

V012-5129

Molecular Formula

C24H27ClN2O5 (C24 H27 ClN2 O5)

Compound Name

1-(ALLYLOXY)-3-[{[3-(1,3-BENZODIOXOL-5-YL)-4,5-DIHYDRO-5-ISOXAZOLYL]METHYL}(2-CHLOROBENZYL)AMINO]-2-PROPANOL

IUPAC name

n/a

SMILES

C=CCOCC(CN(CC(C1)ON=C1c(cc1)cc2c1OCO2)Cc(cccc1)c1Cl)O

InChI

InChI=1S/C24H27ClN2O5/c1-2-9-29-15-19(28)13-27(12-18-5-3-4-6-21(18)25)14-20-11-22(26-32-20)17-7-8-23-24(10-17)31-16-30-23/h2-8,10,19-20,28H,1,9,11-16H2

InChI Key

UFJYKXFJYARCBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869424

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

458.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.41

Polar Surface Area

68.874

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with V012-5129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5129?
Check Price and Availability of V012-5129, 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 V012-5129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5129
  • 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 V012-5129 available by request