D579-0490 Screening compound: 5-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-indol-1-yl)-1-methyl-2-oxoethyl]-1,2,4-triazin-3(2H)-one

D579-0490 Screening compound: 5-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-indol-1-yl)-1-methyl-2-oxoethyl]-1,2,4-triazin-3(2H)-one
D579-0490 Screening compound: 5-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-indol-1-yl)-1-methyl-2-oxoethyl]-1,2,4-triazin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D579-0490
5-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-indol-1-yl)-1-methyl-2-oxoethyl]-1,2,4-triazin-3(2H)-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

D579-0490

Molecular Formula

C20H17ClN4O2 (C20 H17 ClN4 O2)

Compound Name

5-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-indol-1-yl)-1-methyl-2-oxoethyl]-1,2,4-triazin-3(2H)-one

IUPAC name

5-(4-chlorophenyl)-2-[1-(23-dihydro-1H-indol-1-yl)-1-oxopropan-2-yl]-23-dihydro-124-triazin-3-one

SMILES

CC(C(N(CC1)c2c1cccc2)=O)N1N=CC(c(cc2)ccc2Cl)=NC1=O

InChI

InChI=1S/C20H17ClN4O2/c1-13(19(26)24-11-10-15-4-2-3-5-18(15)24)25-20(27)23-17(12-22-25)14-6-8-16(21)9-7-14/h2-9,12-13H,10-11H2,1H3/t13-/m0/s1

InChI Key

KAGMKXGCSXCXAU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27593811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-4.29

Polar Surface Area

51.545

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D579-0490 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D579-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D579-0490?
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What is the minimum amount of D579-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D579-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D579-0490
  • 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 D579-0490 available by request