V018-6741 Screening compound: N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}-3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamide

V018-6741 Screening compound: N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}-3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamide
V018-6741 Screening compound: N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}-3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6741
N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}-3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamide

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

V018-6741

Molecular Formula

C26H37FN4O3 (C26 H37 FN4 O3)

Compound Name

N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl}-3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamide

IUPAC name

N-{[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-12-oxazol-4-yl]methyl}-33-dimethyl-N-[(oxolan-2-yl)methyl]butanamide

SMILES

CC(C)(C)CC(N(CC1OCCC1)Cc1c(N2CCN(C)CC2)onc1-c(cc1)ccc1F)=O

InChI

InChI=1S/C26H37FN4O3/c1-26(2,3)16-23(32)31(17-21-6-5-15-33-21)18-22-24(19-7-9-20(27)10-8-19)28-34-25(22)30-13-11-29(4)12-14-30/h7-10,21H,5-6,11-18H2,1-4H3/t21-/m1/s1

InChI Key

PLKXDNOVJMVXCK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19883242

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-3.69

Polar Surface Area

54.351

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

V018-6741 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-6741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6741?
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What is the minimum amount of V018-6741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6741
  • 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 V018-6741 available by request