V009-1973 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-tert-butyl-1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea

V009-1973 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-tert-butyl-1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea
V009-1973 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-tert-butyl-1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1973
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-tert-butyl-1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea

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

V009-1973

Molecular Formula

C31H38N6O6 (C31 H38 N6 O6)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-tert-butyl-1-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-3-tert-butyl-1-(2-{4-[6-(24-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)urea

SMILES

CC(C)(C)NC(N(CC(N(CC1)CCN1c(cc1)nnc1-c(ccc(OC)c1)c1OC)=O)Cc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C31H38N6O6/c1-31(2,3)32-30(39)37(18-21-6-10-25-27(16-21)43-20-42-25)19-29(38)36-14-12-35(13-15-36)28-11-9-24(33-34-28)23-8-7-22(40-4)17-26(23)41-5/h6-11,16-17H,12-15,18-20H2,1-5H3,(H,32,39)

InChI Key

YOWBBCDBNRDBJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834199

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

590.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-3.97

Polar Surface Area

98.294

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

V009-1973 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-1973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1973?
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What is the minimum amount of V009-1973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1973
  • 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 V009-1973 available by request