V021-5616 Screening compound: N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-2-phenylacetamide

V021-5616 Screening compound: N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-2-phenylacetamide
V021-5616 Screening compound: N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5616
N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-2-phenylacetamide

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

V021-5616

Molecular Formula

C25H27ClN4O (C25 H27 ClN4 O)

Compound Name

N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-2-phenylacetamide

IUPAC name

N-(6-{4-[(2-chlorophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)-2-phenylacetamide

SMILES

O=C(Cc1ccccc1)Nc(cc1)cnc1N1CCN(Cc(cccc2)c2Cl)CCC1

InChI

InChI=1S/C25H27ClN4O/c26-23-10-5-4-9-21(23)19-29-13-6-14-30(16-15-29)24-12-11-22(18-27-24)28-25(31)17-20-7-2-1-3-8-20/h1-5,7-12,18H,6,13-17,19H2,(H,28,31)

InChI Key

YFFHERXJGVBKED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912158

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.936

Water Solubility, LogSw

-5.07

Polar Surface Area

39.041

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V021-5616 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V021-5616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5616?
Check Price and Availability of V021-5616, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-5616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5616
  • 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 V021-5616 available by request