V023-0722 Screening compound: 4-({[(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amino}methyl)-N,N-diethyl-3-(4-fluorophenyl)-1,2-oxazol-5-amine

V023-0722 Screening compound: 4-({[(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amino}methyl)-N,N-diethyl-3-(4-fluorophenyl)-1,2-oxazol-5-amine
V023-0722 Screening compound: 4-({[(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amino}methyl)-N,N-diethyl-3-(4-fluorophenyl)-1,2-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-0722
4-({[(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amino}methyl)-N,N-diethyl-3-(4-fluorophenyl)-1,2-oxazol-5-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

V023-0722

Molecular Formula

C28H32FN3O5 (C28 H32 FN3 O5)

Compound Name

4-({[(2H-1,3-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amino}methyl)-N,N-diethyl-3-(4-fluorophenyl)-1,2-oxazol-5-amine

IUPAC name

4-({[(2H-13-benzodioxol-5-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amino}methyl)-NN-diethyl-3-(4-fluorophenyl)-12-oxazol-5-amine

SMILES

CCN(CC)c1c(CN(CC(COCC#C)O)Cc(cc2)cc3c2OCO3)c(-c(cc2)ccc2F)no1

InChI

InChI=1S/C28H32FN3O5/c1-4-13-34-18-23(33)16-31(15-20-7-12-25-26(14-20)36-19-35-25)17-24-27(21-8-10-22(29)11-9-21)30-37-28(24)32(5-2)6-3/h1,7-12,14,23,33H,5-6,13,15-19H2,2-3H3/t23-/m0/s1

InChI Key

RUFPLVKRKNPWLD-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-4.33

Polar Surface Area

71.620

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V023-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-0722?
Check Price and Availability of V023-0722, 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 V023-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-0722
  • 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 V023-0722 available by request