8018-9243 Screening compound: 2,3-dimethyl-1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinecarboxylic acid

8018-9243 Screening compound: 2,3-dimethyl-1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinecarboxylic acid
8018-9243 Screening compound: 2,3-dimethyl-1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9243
2,3-dimethyl-1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinecarboxylic acid

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

8018-9243

Molecular Formula

C11H10N2O4 (C11 H10 N2 O4)

Compound Name

2,3-dimethyl-1,4-dioxo-1,2,3,4-tetrahydro-6-phthalazinecarboxylic acid

IUPAC name

23-dimethyl-14-dioxo-1234-tetrahydrophthalazine-6-carboxylic acid

SMILES

CN(C(c(cc1)c2cc1C(O)=O)=O)N(C)C2=O

InChI

InChI=1S/C11H10N2O4/c1-12-9(14)7-4-3-6(11(16)17)5-8(7)10(15)13(12)2/h3-5H,1-2H3,(H,16,17)

InChI Key

LEASUUZBOMNQLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.415

Distribution Coefficient, logD

-3.562

Water Solubility, LogSw

-1.91

Polar Surface Area

61.486

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8018-9243 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8018-9243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9243?
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What is the minimum amount of 8018-9243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9243
  • 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 8018-9243 available by request