V016-0069 Screening compound: N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

V016-0069 Screening compound: N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide
V016-0069 Screening compound: N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-0069
N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

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

V016-0069

Molecular Formula

C25H26F2N4O2 (C25 H26 F2 N4 O2)

Compound Name

N-(6-{4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

IUPAC name

N-(6-{4-[(24-difluorophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)Nc(cc1)cnc1N1CCN(Cc(ccc(F)c2)c2F)CCC1

InChI

InChI=1S/C25H26F2N4O2/c26-20-8-7-19(23(27)15-20)17-30-11-4-12-31(14-13-30)24-10-9-21(16-28-24)29-25(32)18-33-22-5-2-1-3-6-22/h1-3,5-10,15-16H,4,11-14,17-18H2,(H,29,32)

InChI Key

ZCWGOGOOQMXYLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912350

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.63

Polar Surface Area

46.540

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V016-0069 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with V016-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-0069?
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What is the minimum amount of V016-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-0069
  • 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 V016-0069 available by request