V027-4229 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzamide

V027-4229 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzamide
V027-4229 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4229
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydropyridazin-4-yl]amino}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

V027-4229

Molecular Formula

C35H30N4O6 (C35 H30 N4 O6)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-{[5-(23-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxo-23-dihydropyridazin-4-yl]amino}benzamide

SMILES

COc(cc1)ccc1N(C1=O)N=CC(Oc2cc(CCC3)c3cc2)=C1Nc1cc(C(NCc(cc2)cc3c2OCO3)=O)ccc1

InChI

InChI=1S/C35H30N4O6/c1-42-28-13-10-27(11-14-28)39-35(41)33(32(20-37-39)45-29-12-9-23-4-2-5-24(23)18-29)38-26-7-3-6-25(17-26)34(40)36-19-22-8-15-30-31(16-22)44-21-43-30/h3,6-18,20,38H,2,4-5,19,21H2,1H3,(H,36,40)

InChI Key

QLAYUMSSTYHDRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19836809

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

602.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.909

Distribution Coefficient, logD

5.879

Water Solubility, LogSw

-5.51

Polar Surface Area

92.676

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.10

V027-4229 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V027-4229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4229?
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What is the minimum amount of V027-4229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4229
  • 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 V027-4229 available by request