V013-5104 Screening compound: 2-(2,6-difluorophenyl)-1-{2-[(4-methylphenoxy)methyl]morpholin-4-yl}ethan-1-one

V013-5104 Screening compound: 2-(2,6-difluorophenyl)-1-{2-[(4-methylphenoxy)methyl]morpholin-4-yl}ethan-1-one
V013-5104 Screening compound: 2-(2,6-difluorophenyl)-1-{2-[(4-methylphenoxy)methyl]morpholin-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5104
2-(2,6-difluorophenyl)-1-{2-[(4-methylphenoxy)methyl]morpholin-4-yl}ethan-1-one

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

V013-5104

Molecular Formula

C20H21F2NO3 (C20 H21 F2 NO3)

Compound Name

2-(2,6-difluorophenyl)-1-{2-[(4-methylphenoxy)methyl]morpholin-4-yl}ethan-1-one

IUPAC name

2-(26-difluorophenyl)-1-{2-[(4-methylphenoxy)methyl]morpholin-4-yl}ethan-1-one

SMILES

Cc(cc1)ccc1OCC(C1)OCCN1C(Cc(c(F)ccc1)c1F)=O

InChI

InChI=1S/C20H21F2NO3/c1-14-5-7-15(8-6-14)26-13-16-12-23(9-10-25-16)20(24)11-17-18(21)3-2-4-19(17)22/h2-8,16H,9-13H2,1H3/t16-/m1/s1

InChI Key

JSKKIYREMWSCIE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD19962728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.40

Polar Surface Area

31.617

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V013-5104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5104?
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What is the minimum amount of V013-5104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5104
  • 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 V013-5104 available by request