C075-0238 Screening compound: N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

C075-0238 Screening compound: N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
C075-0238 Screening compound: N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C075-0238
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-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

C075-0238

Molecular Formula

C30H29N5O6 (C30 H29 N5 O6)

Compound Name

N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

N-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

COc(cc1)ccc1N1N=C(C(NCC(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C30H29N5O6/c1-39-22-9-7-21(8-10-22)35-30(38)24-5-3-2-4-23(24)28(32-35)29(37)31-17-27(36)34-14-12-33(13-15-34)18-20-6-11-25-26(16-20)41-19-40-25/h2-11,16H,12-15,17-19H2,1H3,(H,31,37)

InChI Key

AZUHNUISVHRZAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-3.12

Polar Surface Area

95.053

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with C075-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C075-0238?
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What is the minimum amount of C075-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C075-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C075-0238
  • 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 C075-0238 available by request