V028-4329 Screening compound: N-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)piperidin-4-yl]-2,4-difluorobenzamide

V028-4329 Screening compound: N-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)piperidin-4-yl]-2,4-difluorobenzamide
V028-4329 Screening compound: N-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)piperidin-4-yl]-2,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4329
N-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)piperidin-4-yl]-2,4-difluorobenzamide

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

V028-4329

Molecular Formula

C27H25F2N3O4 (C27 H25 F2 N3 O4)

Compound Name

N-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)piperidin-4-yl]-2,4-difluorobenzamide

IUPAC name

N-[1-(2-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}phenyl)piperidin-4-yl]-24-difluorobenzamide

SMILES

O=C(c(cccc1)c1N(CC1)CCC1NC(c(ccc(F)c1)c1F)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H25F2N3O4/c28-18-6-7-20(22(29)14-18)27(34)31-19-9-11-32(12-10-19)23-4-2-1-3-21(23)26(33)30-15-17-5-8-24-25(13-17)36-16-35-24/h1-8,13-14,19H,9-12,15-16H2,(H,30,33)(H,31,34)

InChI Key

QODNVJXNHCTQQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19893715

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.76

Polar Surface Area

68.865

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V028-4329 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 V028-4329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4329?
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What is the minimum amount of V028-4329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4329
  • 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 V028-4329 available by request