D262-0765 Screening compound: methyl 4-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]butanamido}benzoate

D262-0765 Screening compound: methyl 4-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]butanamido}benzoate
D262-0765 Screening compound: methyl 4-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]butanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D262-0765
methyl 4-{2-[4-(4-methylphenyl)-1-oxo-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

D262-0765

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

methyl 4-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]butanamido}benzoate

IUPAC name

methyl 4-{2-[4-(4-methylphenyl)-1-oxo-125678-hexahydrophthalazin-2-yl]butanamido}benzoate

SMILES

CCC(C(Nc(cc1)ccc1C(OC)=O)=O)N(C(C1=C2CCCC1)=O)N=C2c1ccc(C)cc1

InChI

InChI=1S/C27H29N3O4/c1-4-23(25(31)28-20-15-13-19(14-16-20)27(33)34-3)30-26(32)22-8-6-5-7-21(22)24(29-30)18-11-9-17(2)10-12-18/h9-16,23H,4-8H2,1-3H3,(H,28,31)/t23-/m0/s1

InChI Key

KAQDWGCBQKQCTK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD26967425

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.701

Distribution Coefficient, logD

5.701

Water Solubility, LogSw

-5.34

Polar Surface Area

70.042

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D262-0765 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D262-0765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D262-0765?
Check Price and Availability of D262-0765, 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 D262-0765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D262-0765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D262-0765
  • 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 D262-0765 available by request