V020-4887 Screening compound: N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide

V020-4887 Screening compound: N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide
V020-4887 Screening compound: N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-4887
N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-methoxybenzamide

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

V020-4887

Molecular Formula

C27H30FN5O3 (C27 H30 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC(N(CCC1)CCN1c(cc1)nnc1-c(cc1)ccc1F)=O)C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C27H30FN5O3/c1-3-31(27(35)21-6-4-7-23(18-21)36-2)19-26(34)33-15-5-14-32(16-17-33)25-13-12-24(29-30-25)20-8-10-22(28)11-9-20/h4,6-13,18H,3,5,14-17,19H2,1-2H3

InChI Key

VLAADNWMPOYKEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834137

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.43

Polar Surface Area

64.637

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V020-4887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-4887?
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What is the minimum amount of V020-4887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-4887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-4887
  • 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 V020-4887 available by request