V021-3656 Screening compound: N-ethyl-N'-isopropyl-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]piperazino}-2-oxoethyl)thiourea

V021-3656 Screening compound: N-ethyl-N'-isopropyl-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]piperazino}-2-oxoethyl)thiourea
V021-3656 Screening compound: N-ethyl-N'-isopropyl-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]piperazino}-2-oxoethyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3656
N-ethyl-N'-isopropyl-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]piperazino}-2-oxoethyl)thiourea

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

V021-3656

Molecular Formula

C23H32N6O2S (C23 H32 N6 O2 S)

Compound Name

N-ethyl-N'-isopropyl-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]piperazino}-2-oxoethyl)thiourea

IUPAC name

1-ethyl-1-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-(propan-2-yl)thiourea

SMILES

CCN(CC(N(CC1)CCN1c(cc1)nnc1-c1cc(OC)ccc1)=O)C(NC(C)C)=S

InChI

InChI=1S/C23H32N6O2S/c1-5-27(23(32)24-17(2)3)16-22(30)29-13-11-28(12-14-29)21-10-9-20(25-26-21)18-7-6-8-19(15-18)31-4/h6-10,15,17H,5,11-14,16H2,1-4H3,(H,24,32)

InChI Key

KPXBSWCBEYLOCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831339

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.40

Polar Surface Area

59.124

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

V021-3656 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V021-3656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3656?
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What is the minimum amount of V021-3656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3656
  • 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 V021-3656 available by request