6016-3227 Screening compound: 5-{3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}-2-methoxy-N-methylbenzamide

6016-3227 Screening compound: 5-{3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}-2-methoxy-N-methylbenzamide
6016-3227 Screening compound: 5-{3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}-2-methoxy-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3227
5-{3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}-2-methoxy-N-methylbenzamide

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

6016-3227

Molecular Formula

C26H23ClN4O4 (C26 H23 ClN4 O4)

Compound Name

5-{3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanamido}-2-methoxy-N-methylbenzamide

IUPAC name

5-{3-[4-(4-chlorophenyl)-1-oxo-12-dihydrophthalazin-2-yl]propanamido}-2-methoxy-N-methylbenzamide

SMILES

CNC(c(cc(cc1)NC(CCN2N=C(c(cc3)ccc3Cl)c(cccc3)c3C2=O)=O)c1OC)=O

InChI

InChI=1S/C26H23ClN4O4/c1-28-25(33)21-15-18(11-12-22(21)35-2)29-23(32)13-14-31-26(34)20-6-4-3-5-19(20)24(30-31)16-7-9-17(27)10-8-16/h3-12,15H,13-14H2,1-2H3,(H,28,33)(H,29,32)

InChI Key

UNAFEIDVGKXUKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04005321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.93

Polar Surface Area

82.789

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6016-3227 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6016-3227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3227?
Check Price and Availability of 6016-3227, 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 6016-3227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3227
  • 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 6016-3227 available by request