V018-4241 Screening compound: benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine

V018-4241 Screening compound: benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine
V018-4241 Screening compound: benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4241
benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}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

V018-4241

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine

IUPAC name

benzyl[2-hydroxy-3-(prop-2-en-1-yloxy)propyl]{[3-phenyl-5-(pyrrolidin-1-yl)-12-oxazol-4-yl]methyl}amine

SMILES

C=CCOCC(CN(Cc1c(N2CCCC2)onc1-c1ccccc1)Cc1ccccc1)O

InChI

InChI=1S/C27H33N3O3/c1-2-17-32-21-24(31)19-29(18-22-11-5-3-6-12-22)20-25-26(23-13-7-4-8-14-23)28-33-27(25)30-15-9-10-16-30/h2-8,11-14,24,31H,1,9-10,15-21H2/t24-/m0/s1

InChI Key

BDTNETPEFKLYLV-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19870760

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-4.11

Polar Surface Area

55.587

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.04

V018-4241 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-4241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4241?
Check Price and Availability of V018-4241, 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 V018-4241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4241
  • 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 V018-4241 available by request