V025-1302 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

V025-1302 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
V025-1302 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-1302
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

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

V025-1302

Molecular Formula

C28H27N5O4 (C28 H27 N5 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

SMILES

COc(cc1)ccc1N(CC1)CCN1c1nnc(C(NCc(cc2)cc3c2OCO3)=O)c2ccccc12

InChI

InChI=1S/C28H27N5O4/c1-35-21-9-7-20(8-10-21)32-12-14-33(15-13-32)27-23-5-3-2-4-22(23)26(30-31-27)28(34)29-17-19-6-11-24-25(16-19)37-18-36-24/h2-11,16H,12-15,17-18H2,1H3,(H,29,34)

InChI Key

FLBCZPYFDCULSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14285365

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.385

Water Solubility, LogSw

-4.31

Polar Surface Area

78.199

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V025-1302 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 V025-1302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1302?
Check Price and Availability of V025-1302, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V025-1302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1302
  • 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 V025-1302 available by request