V003-8197 Screening compound: 3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}-N-(2-methylpropyl)benzamide

V003-8197 Screening compound: 3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}-N-(2-methylpropyl)benzamide
V003-8197 Screening compound: 3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8197
3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}-N-(2-methylpropyl)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

V003-8197

Molecular Formula

C31H32N4O4 (C31 H32 N4 O4)

Compound Name

3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}-N-(2-methylpropyl)benzamide

IUPAC name

3-{[5-(23-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-23-dihydropyridazin-4-yl]amino}-N-(2-methylpropyl)benzamide

SMILES

CC(C)CNC(c1cccc(NC(C(N(c(cc2)ccc2OC)N=C2)=O)=C2Oc2cc(CCC3)c3cc2)c1)=O

InChI

InChI=1S/C31H32N4O4/c1-20(2)18-32-30(36)23-8-5-9-24(16-23)34-29-28(39-27-13-10-21-6-4-7-22(21)17-27)19-33-35(31(29)37)25-11-14-26(38-3)15-12-25/h5,8-17,19-20,34H,4,6-7,18H2,1-3H3,(H,32,36)

InChI Key

CMNUGISMEIKFIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.581

Distribution Coefficient, logD

5.551

Water Solubility, LogSw

-5.40

Polar Surface Area

75.832

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

V003-8197 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-8197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8197?
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What is the minimum amount of V003-8197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8197
  • 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 V003-8197 available by request