V021-9112 Screening compound: N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-3,5-difluorobenzamide

V021-9112 Screening compound: N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-3,5-difluorobenzamide
V021-9112 Screening compound: N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-3,5-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9112
N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-3,5-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

V021-9112

Molecular Formula

C24H23ClF2N4O (C24 H23 ClF2 N4 O)

Compound Name

N-{6-[4-(2-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl}-3,5-difluorobenzamide

IUPAC name

N-(6-{4-[(2-chlorophenyl)methyl]-14-diazepan-1-yl}pyridin-3-yl)-35-difluorobenzamide

SMILES

O=C(c1cc(F)cc(F)c1)Nc(cc1)cnc1N1CCN(Cc(cccc2)c2Cl)CCC1

InChI

InChI=1S/C24H23ClF2N4O/c25-22-5-2-1-4-17(22)16-30-8-3-9-31(11-10-30)23-7-6-21(15-28-23)29-24(32)18-12-19(26)14-20(27)13-18/h1-2,4-7,12-15H,3,8-11,16H2,(H,29,32)

InChI Key

ANWHIZGWYOZHGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912281

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

456.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.644

Distribution Coefficient, logD

5.567

Water Solubility, LogSw

-6.01

Polar Surface Area

39.254

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V021-9112 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases

References: we are preparing a list of scientific research reports with V021-9112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9112?
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What is the minimum amount of V021-9112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9112
  • 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 V021-9112 available by request