V021-1819 Screening compound: N-ethyl-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide

V021-1819 Screening compound: N-ethyl-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide
V021-1819 Screening compound: N-ethyl-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1819
N-ethyl-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}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

V021-1819

Molecular Formula

C26H28FN5O2 (C26 H28 FN5 O2)

Compound Name

N-ethyl-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}benzamide

IUPAC name

N-ethyl-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-14-diazepan-1-yl]ethyl}benzamide

SMILES

CCN(CC(N(CCC1)CCN1c(cc1)nnc1-c1ccccc1)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C26H28FN5O2/c1-2-30(26(34)21-11-6-7-12-22(21)27)19-25(33)32-16-8-15-31(17-18-32)24-14-13-23(28-29-24)20-9-4-3-5-10-20/h3-7,9-14H,2,8,15-19H2,1H3

InChI Key

RZELBKOPAAIETN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835774

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

3.315

Water Solubility, LogSw

-3.64

Polar Surface Area

57.093

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

V021-1819 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V021-1819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1819?
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What is the minimum amount of V021-1819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1819
  • 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 V021-1819 available by request