V016-4131 Screening compound: 4-fluoro-N~1~-{[4-(2-furylmethyl)-1,4-oxazinan-2-yl]methyl}-N~1~-(2-methoxyethyl)benzamide

V016-4131 Screening compound: 4-fluoro-N~1~-{[4-(2-furylmethyl)-1,4-oxazinan-2-yl]methyl}-N~1~-(2-methoxyethyl)benzamide
V016-4131 Screening compound: 4-fluoro-N~1~-{[4-(2-furylmethyl)-1,4-oxazinan-2-yl]methyl}-N~1~-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4131
4-fluoro-N~1~-{[4-(2-furylmethyl)-1,4-oxazinan-2-yl]methyl}-N~1~-(2-methoxyethyl)benzamide

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

V016-4131

Molecular Formula

C20H25FN2O4 (C20 H25 FN2 O4)

Compound Name

4-fluoro-N~1~-{[4-(2-furylmethyl)-1,4-oxazinan-2-yl]methyl}-N~1~-(2-methoxyethyl)benzamide

IUPAC name

4-fluoro-N-({4-[(furan-2-yl)methyl]morpholin-2-yl}methyl)-N-(2-methoxyethyl)benzamide

SMILES

COCCN(CC1OCCN(Cc2ccco2)C1)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C20H25FN2O4/c1-25-11-9-23(20(24)16-4-6-17(21)7-5-16)15-19-14-22(8-12-27-19)13-18-3-2-10-26-18/h2-7,10,19H,8-9,11-15H2,1H3/t19-/m1/s1

InChI Key

AECGHXYIIOIVKT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19979457

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

376.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.791

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-1.98

Polar Surface Area

44.281

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

V016-4131 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-4131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4131?
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What is the minimum amount of V016-4131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4131
  • 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 V016-4131 available by request