V004-3205 Screening compound: 2,4-dichloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]benzamide

V004-3205 Screening compound: 2,4-dichloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
V004-3205 Screening compound: 2,4-dichloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3205
2,4-dichloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-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

V004-3205

Molecular Formula

C30H33Cl2FN6O3 (C30 H33 Cl2 FN6 O3)

Compound Name

2,4-dichloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

24-dichloro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

O=C(CN(CCN1CCOCC1)C(c(ccc(Cl)c1)c1Cl)=O)N(CCC1)CCN1c(cc1)nnc1-c(cc1)ccc1F

InChI

InChI=1S/C30H33Cl2FN6O3/c31-23-4-7-25(26(32)20-23)30(41)39(13-12-36-16-18-42-19-17-36)21-29(40)38-11-1-10-37(14-15-38)28-9-8-27(34-35-28)22-2-5-24(33)6-3-22/h2-9,20H,1,10-19,21H2

InChI Key

MBUWUPMGHPMSIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834270

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

615.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-4.26

Polar Surface Area

68.966

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V004-3205 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V004-3205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3205?
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What is the minimum amount of V004-3205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3205
  • 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 V004-3205 available by request