V018-7066 Screening compound: N-(6-{4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

V018-7066 Screening compound: N-(6-{4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide
V018-7066 Screening compound: N-(6-{4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7066
N-(6-{4-[2-(4-chlorophenoxy)acetyl]-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

V018-7066

Molecular Formula

C26H27ClN4O4 (C26 H27 ClN4 O4)

Compound Name

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

IUPAC name

N-(6-{4-[2-(4-chlorophenoxy)acetyl]-14-diazepan-1-yl}pyridin-3-yl)-2-phenoxyacetamide

SMILES

O=C(COc1ccccc1)Nc(cc1)cnc1N(CCC1)CCN1C(COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H27ClN4O4/c27-20-7-10-23(11-8-20)35-19-26(33)31-14-4-13-30(15-16-31)24-12-9-21(17-28-24)29-25(32)18-34-22-5-2-1-3-6-22/h1-3,5-12,17H,4,13-16,18-19H2,(H,29,32)

InChI Key

YODJGEFFBFZBJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911634

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.321

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.55

Polar Surface Area

66.428

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

V018-7066 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V018-7066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7066?
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What is the minimum amount of V018-7066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7066
  • 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 V018-7066 available by request