8016-9895 Screening compound: 2-chloro-N~1~-{4-[(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methoxy]phenyl}benzamide

8016-9895 Screening compound: 2-chloro-N~1~-{4-[(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methoxy]phenyl}benzamide
8016-9895 Screening compound: 2-chloro-N~1~-{4-[(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methoxy]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9895
2-chloro-N~1~-{4-[(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methoxy]phenyl}benzamide

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

8016-9895

Molecular Formula

C24H18ClN5O2 (C24 H18 ClN5 O2)

Compound Name

2-chloro-N~1~-{4-[(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methoxy]phenyl}benzamide

IUPAC name

2-chloro-N-[4-({6-methyl-[124]triazolo[34-a]phthalazin-3-yl}methoxy)phenyl]benzamide

SMILES

Cc(c1c2cccc1)nn1c2nnc1COc(cc1)ccc1NC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C24H18ClN5O2/c1-15-18-6-2-3-7-19(18)23-28-27-22(30(23)29-15)14-32-17-12-10-16(11-13-17)26-24(31)20-8-4-5-9-21(20)25/h2-13H,14H2,1H3,(H,26,31)

InChI Key

ZCOQKNVSWQHJRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.19

Polar Surface Area

64.815

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8016-9895 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9895?
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What is the minimum amount of 8016-9895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9895
  • 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 8016-9895 available by request