D262-0571 Screening compound: ethyl 4-[2-(1-oxo-4-phenyl-1,2,5,6,7,8-hexahydrophthalazin-2-yl)butanamido]benzoate

D262-0571 Screening compound: ethyl 4-[2-(1-oxo-4-phenyl-1,2,5,6,7,8-hexahydrophthalazin-2-yl)butanamido]benzoate
D262-0571 Screening compound: ethyl 4-[2-(1-oxo-4-phenyl-1,2,5,6,7,8-hexahydrophthalazin-2-yl)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D262-0571
ethyl 4-[2-(1-oxo-4-phenyl-1,2,5,6,7,8-hexahydrophthalazin-2-yl)butanamido]benzoate

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

D262-0571

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

ethyl 4-[2-(1-oxo-4-phenyl-1,2,5,6,7,8-hexahydrophthalazin-2-yl)butanamido]benzoate

IUPAC name

ethyl 4-[2-(1-oxo-4-phenyl-125678-hexahydrophthalazin-2-yl)butanamido]benzoate

SMILES

CCC(C(Nc(cc1)ccc1C(OCC)=O)=O)N(C(C1=C2CCCC1)=O)N=C2c1ccccc1

InChI

InChI=1S/C27H29N3O4/c1-3-23(25(31)28-20-16-14-19(15-17-20)27(33)34-4-2)30-26(32)22-13-9-8-12-21(22)24(29-30)18-10-6-5-7-11-18/h5-7,10-11,14-17,23H,3-4,8-9,12-13H2,1-2H3,(H,28,31)/t23-/m0/s1

InChI Key

KEWBQMZOFRLOGU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD26967419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.684

Distribution Coefficient, logD

5.683

Water Solubility, LogSw

-5.49

Polar Surface Area

69.622

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D262-0571 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D262-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D262-0571?
Check Price and Availability of D262-0571, 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 D262-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D262-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D262-0571
  • 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 D262-0571 available by request