D315-1942 Screening compound: 4-{4-methyl-3-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one

D315-1942 Screening compound: 4-{4-methyl-3-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one
D315-1942 Screening compound: 4-{4-methyl-3-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D315-1942
4-{4-methyl-3-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one

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

D315-1942

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

4-{4-methyl-3-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]phenyl}-1,2,5,6,7,8-hexahydrophthalazin-1-one

IUPAC name

4-{4-methyl-3-[(2-methyl-23-dihydro-1H-indol-1-yl)sulfonyl]phenyl}-125678-hexahydrophthalazin-1-one

SMILES

CC(Cc1c2cccc1)N2S(c1c(C)ccc(C(C2=C3CCCC2)=NNC3=O)c1)(=O)=O

InChI

InChI=1S/C24H25N3O3S/c1-15-11-12-18(23-19-8-4-5-9-20(19)24(28)26-25-23)14-22(15)31(29,30)27-16(2)13-17-7-3-6-10-21(17)27/h3,6-7,10-12,14,16H,4-5,8-9,13H2,1-2H3,(H,26,28)/t16-/m0/s1

InChI Key

FXNPOAHWFXPRCV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14818534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.419

Water Solubility, LogSw

-5.27

Polar Surface Area

67.784

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D315-1942 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D315-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D315-1942?
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What is the minimum amount of D315-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D315-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D315-1942
  • 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 D315-1942 available by request