V029-0843 Screening compound: N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-fluorobenzamide

V029-0843 Screening compound: N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-fluorobenzamide
V029-0843 Screening compound: N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0843
N-(6-{4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl}pyridin-3-yl)-4-fluorobenzamide

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

V029-0843

Molecular Formula

C24H24ClFN4O (C24 H24 ClFN4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1F)Nc(cc1)cnc1N1CCN(Cc(cccc2)c2Cl)CCC1

InChI

InChI=1S/C24H24ClFN4O/c25-22-5-2-1-4-19(22)17-29-12-3-13-30(15-14-29)23-11-10-21(16-27-23)28-24(31)18-6-8-20(26)9-7-18/h1-2,4-11,16H,3,12-15,17H2,(H,28,31)

InChI Key

INPPAMYQSOALNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912073

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.93

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

5.137

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.66

Polar Surface Area

39.254

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V029-0843 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0843?
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What is the minimum amount of V029-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0843
  • 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 V029-0843 available by request