8012-7687 Screening compound: methyl 2-[4-(2-{4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}acetamido)phenoxy]acetate

8012-7687 Screening compound: methyl 2-[4-(2-{4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}acetamido)phenoxy]acetate
8012-7687 Screening compound: methyl 2-[4-(2-{4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}acetamido)phenoxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7687
methyl 2-[4-(2-{4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}acetamido)phenoxy]acetate

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

8012-7687

Molecular Formula

C30H30N4O8S (C30 H30 N4 O8 S)

Compound Name

methyl 2-[4-(2-{4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-1-oxo-1,2-dihydrophthalazin-2-yl}acetamido)phenoxy]acetate

IUPAC name

methyl 2-[4-(2-{4-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-1-oxo-12-dihydrophthalazin-2-yl}acetamido)phenoxy]acetate

SMILES

Cc(ccc(C(c1c2cccc1)=NN(CC(Nc(cc1)ccc1OCC(OC)=O)=O)C2=O)c1)c1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C30H30N4O8S/c1-20-7-8-21(17-26(20)43(38,39)33-13-15-41-16-14-33)29-24-5-3-4-6-25(24)30(37)34(32-29)18-27(35)31-22-9-11-23(12-10-22)42-19-28(36)40-2/h3-12,17H,13-16,18-19H2,1-2H3,(H,31,35)

InChI Key

LFJWZGQJWCKALS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.66

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.18

Polar Surface Area

118.042

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8012-7687 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7687?
Check Price and Availability of 8012-7687, 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 8012-7687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7687
  • 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 8012-7687 available by request