V021-3692 Screening compound: 3-fluoro-N-{6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide

V021-3692 Screening compound: 3-fluoro-N-{6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide
V021-3692 Screening compound: 3-fluoro-N-{6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3692
3-fluoro-N-{6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide

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

V021-3692

Molecular Formula

C25H27FN4O2 (C25 H27 FN4 O2)

Compound Name

3-fluoro-N-{6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide

IUPAC name

3-fluoro-N-{6-[4-(2-hydroxy-2-phenylethyl)-14-diazepan-1-yl]pyridin-3-yl}benzamide

SMILES

OC(CN(CCC1)CCN1c(cc1)ncc1NC(c1cccc(F)c1)=O)c1ccccc1

InChI

InChI=1S/C25H27FN4O2/c26-21-9-4-8-20(16-21)25(32)28-22-10-11-24(27-17-22)30-13-5-12-29(14-15-30)18-23(31)19-6-2-1-3-7-19/h1-4,6-11,16-17,23,31H,5,12-15,18H2,(H,28,32)/t23-/m0/s1

InChI Key

RHMOPTRGRXMHKL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19912493

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.933

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-3.85

Polar Surface Area

55.407

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

V021-3692 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V021-3692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3692?
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What is the minimum amount of V021-3692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3692
  • 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 V021-3692 available by request