V017-3272 Screening compound: N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]morpholine-4-carbothioamide

V017-3272 Screening compound: N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]morpholine-4-carbothioamide
V017-3272 Screening compound: N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]morpholine-4-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3272
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]morpholine-4-carbothioamide

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

V017-3272

Molecular Formula

C19H21FN2O3S (C19 H21 FN2 O3 S)

Compound Name

N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]morpholine-4-carbothioamide

IUPAC name

N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]morpholine-4-carbothioamide

SMILES

COc1cccc(OCC(C2)OCCN2C(Nc(cc2)ccc2F)=S)c1

InChI

InChI=1S/C19H21FN2O3S/c1-23-16-3-2-4-17(11-16)25-13-18-12-22(9-10-24-18)19(26)21-15-7-5-14(20)6-8-15/h2-8,11,18H,9-10,12-13H2,1H3,(H,21,26)/t18-/m1/s1

InChI Key

IKDOGACLRCDXRS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19918244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-4.06

Polar Surface Area

33.938

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

V017-3272 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V017-3272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3272?
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What is the minimum amount of V017-3272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3272
  • 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 V017-3272 available by request