D262-1054 Screening compound: 1,3-dimethyl 5-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamido}benzene-1,3-dicarboxylate

D262-1054 Screening compound: 1,3-dimethyl 5-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamido}benzene-1,3-dicarboxylate
D262-1054 Screening compound: 1,3-dimethyl 5-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D262-1054
1,3-dimethyl 5-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamido}benzene-1,3-dicarboxylate

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

D262-1054

Molecular Formula

C27H27N3O6 (C27 H27 N3 O6)

Compound Name

1,3-dimethyl 5-{2-[4-(4-methylphenyl)-1-oxo-1,2,5,6,7,8-hexahydrophthalazin-2-yl]acetamido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{2-[4-(4-methylphenyl)-1-oxo-125678-hexahydrophthalazin-2-yl]acetamido}benzene-13-dicarboxylate

SMILES

Cc(cc1)ccc1C(C1=C2CCCC1)=NN(CC(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O)C2=O

InChI

InChI=1S/C27H27N3O6/c1-16-8-10-17(11-9-16)24-21-6-4-5-7-22(21)25(32)30(29-24)15-23(31)28-20-13-18(26(33)35-2)12-19(14-20)27(34)36-3/h8-14H,4-7,15H2,1-3H3,(H,28,31)

InChI Key

LKWQZRFOIQFTBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.00

Polar Surface Area

92.884

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with D262-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D262-1054?
Check Price and Availability of D262-1054, 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 D262-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D262-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D262-1054
  • 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 D262-1054 available by request