8016-9961 Screening compound: N~1~-(9H-fluoren-2-yl)-3-methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

8016-9961 Screening compound: N~1~-(9H-fluoren-2-yl)-3-methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxamide
8016-9961 Screening compound: N~1~-(9H-fluoren-2-yl)-3-methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9961
N~1~-(9H-fluoren-2-yl)-3-methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

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

8016-9961

Molecular Formula

C23H17N3O2 (C23 H17 N3 O2)

Compound Name

N~1~-(9H-fluoren-2-yl)-3-methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxamide

IUPAC name

N-(9H-fluoren-2-yl)-3-methyl-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

CN1N=C(C(Nc(cc2)cc(C3)c2-c2c3cccc2)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C23H17N3O2/c1-26-23(28)20-9-5-4-8-19(20)21(25-26)22(27)24-16-10-11-18-15(13-16)12-14-6-2-3-7-17(14)18/h2-11,13H,12H2,1H3,(H,24,27)

InChI Key

AEFJOTFEDNLPCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.39

Polar Surface Area

50.524

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8016-9961 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 8016-9961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9961?
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What is the minimum amount of 8016-9961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9961
  • 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 8016-9961 available by request