8012-7636 Screening compound: N-(5-bromoquinolin-8-yl)-2-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamide

8012-7636 Screening compound: N-(5-bromoquinolin-8-yl)-2-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamide
8012-7636 Screening compound: N-(5-bromoquinolin-8-yl)-2-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7636
N-(5-bromoquinolin-8-yl)-2-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamide

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

8012-7636

Molecular Formula

C25H16BrClN4O2 (C25 H16 BrClN4 O2)

Compound Name

N-(5-bromoquinolin-8-yl)-2-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]acetamide

IUPAC name

N-(5-bromoquinolin-8-yl)-2-[4-(4-chlorophenyl)-1-oxo-12-dihydrophthalazin-2-yl]acetamide

SMILES

O=C(CN1N=C(c(cc2)ccc2Cl)c(cccc2)c2C1=O)Nc(c1ncccc11)ccc1Br

InChI

InChI=1S/C25H16BrClN4O2/c26-20-11-12-21(24-19(20)6-3-13-28-24)29-22(32)14-31-25(33)18-5-2-1-4-17(18)23(30-31)15-7-9-16(27)10-8-15/h1-13H,14H2,(H,29,32)

InChI Key

FPFIFYPVYLYXCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-5.21

Polar Surface Area

59.180

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8012-7636 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8012-7636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7636?
Check Price and Availability of 8012-7636, 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 8012-7636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7636
  • 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 8012-7636 available by request