V021-5881 Screening compound: N-{1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzamide

V021-5881 Screening compound: N-{1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzamide
V021-5881 Screening compound: N-{1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5881
N-{1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzamide

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

V021-5881

Molecular Formula

C28H31FN2O3 (C28 H31 FN2 O3)

Compound Name

N-{1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzamide

IUPAC name

N-{1-[(25-dimethoxyphenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzamide

SMILES

Cc1cccc(C(N(C2CCN(Cc(cc(cc3)OC)c3OC)CC2)c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C28H31FN2O3/c1-20-5-4-6-21(17-20)28(32)31(24-9-7-23(29)8-10-24)25-13-15-30(16-14-25)19-22-18-26(33-2)11-12-27(22)34-3/h4-12,17-18,25H,13-16,19H2,1-3H3

InChI Key

ZJTKAVBFWCOGMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912876

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.222

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-5.18

Polar Surface Area

33.657

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V021-5881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5881?
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What is the minimum amount of V021-5881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5881
  • 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 V021-5881 available by request