K999-0312 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

K999-0312 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
K999-0312 Screening compound: N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K999-0312
N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

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

K999-0312

Molecular Formula

C26H32N4O4 (C26 H32 N4 O4)

Compound Name

N-[3-(azepan-1-yl)propyl]-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-3-(35-dimethoxyphenyl)-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

COc1cc(N2N=C(C(NCCCN3CCCCCC3)=O)c(cccc3)c3C2=O)cc(OC)c1

InChI

InChI=1S/C26H32N4O4/c1-33-20-16-19(17-21(18-20)34-2)30-26(32)23-11-6-5-10-22(23)24(28-30)25(31)27-12-9-15-29-13-7-3-4-8-14-29/h5-6,10-11,16-18H,3-4,7-9,12-15H2,1-2H3,(H,27,31)

InChI Key

OEMOLIWHDHTHOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.530

Distribution Coefficient, logD

0.959

Water Solubility, LogSw

-3.72

Polar Surface Area

69.704

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

K999-0312 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 K999-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K999-0312?
Check Price and Availability of K999-0312, 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 K999-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K999-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K999-0312
  • 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 K999-0312 available by request