V021-3371 Screening compound: 5-(4-fluoro-3-methylphenyl)-N3-[2-(4-methoxyphenyl)ethyl]-N1-(propan-2-yl)piperidine-1,3-dicarboxamide

V021-3371 Screening compound: 5-(4-fluoro-3-methylphenyl)-N3-[2-(4-methoxyphenyl)ethyl]-N1-(propan-2-yl)piperidine-1,3-dicarboxamide
V021-3371 Screening compound: 5-(4-fluoro-3-methylphenyl)-N3-[2-(4-methoxyphenyl)ethyl]-N1-(propan-2-yl)piperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3371
5-(4-fluoro-3-methylphenyl)-N3-[2-(4-methoxyphenyl)ethyl]-N1-(propan-2-yl)piperidine-1,3-dicarboxamide

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

V021-3371

Molecular Formula

C26H34FN3O3 (C26 H34 FN3 O3)

Compound Name

5-(4-fluoro-3-methylphenyl)-N3-[2-(4-methoxyphenyl)ethyl]-N1-(propan-2-yl)piperidine-1,3-dicarboxamide

IUPAC name

5-(4-fluoro-3-methylphenyl)-N3-[2-(4-methoxyphenyl)ethyl]-N1-(propan-2-yl)piperidine-13-dicarboxamide

SMILES

CC(C)NC(N(CC(C1)C(NCCc(cc2)ccc2OC)=O)CC1c(cc1)cc(C)c1F)=O

InChI

InChI=1S/C26H34FN3O3/c1-17(2)29-26(32)30-15-21(20-7-10-24(27)18(3)13-20)14-22(16-30)25(31)28-12-11-19-5-8-23(33-4)9-6-19/h5-10,13,17,21-22H,11-12,14-16H2,1-4H3,(H,28,31)(H,29,32)

InChI Key

QPLRODALEHVSOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19927273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.27

Polar Surface Area

57.669

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

V021-3371 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 V021-3371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3371?
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What is the minimum amount of V021-3371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3371
  • 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 V021-3371 available by request