V023-4789 Screening compound: N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(4-fluorophenyl)acetamide

V023-4789 Screening compound: N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(4-fluorophenyl)acetamide
V023-4789 Screening compound: N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-4789
N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(4-fluorophenyl)acetamide

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

V023-4789

Molecular Formula

C25H24ClFN4O2 (C25 H24 ClFN4 O2)

Compound Name

N-{6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(4-fluorophenyl)acetamide

IUPAC name

N-{6-[4-(3-chlorobenzoyl)-14-diazepan-1-yl]pyridin-3-yl}-2-(4-fluorophenyl)acetamide

SMILES

O=C(Cc(cc1)ccc1F)Nc(cc1)cnc1N(CCC1)CCN1C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C25H24ClFN4O2/c26-20-4-1-3-19(16-20)25(33)31-12-2-11-30(13-14-31)23-10-9-22(17-28-23)29-24(32)15-18-5-7-21(27)8-6-18/h1,3-10,16-17H,2,11-15H2,(H,29,32)

InChI Key

AIQRJQSKYBKQRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911302

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.45

Polar Surface Area

51.957

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V023-4789 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 V023-4789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-4789?
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What is the minimum amount of V023-4789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-4789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-4789
  • 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 V023-4789 available by request