2595-0270 Screening compound: 6-tert-butyl-4-[(E)-[(4-hydroxy-3-methoxyphenyl)methylidene]amino]-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one

2595-0270 Screening compound: 6-tert-butyl-4-[(E)-[(4-hydroxy-3-methoxyphenyl)methylidene]amino]-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one
2595-0270 Screening compound: 6-tert-butyl-4-[(E)-[(4-hydroxy-3-methoxyphenyl)methylidene]amino]-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-0270
6-tert-butyl-4-[(E)-[(4-hydroxy-3-methoxyphenyl)methylidene]amino]-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-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

2595-0270

Molecular Formula

C16H20N4O3S (C16 H20 N4 O3 S)

Compound Name

6-tert-butyl-4-[(E)-[(4-hydroxy-3-methoxyphenyl)methylidene]amino]-3-(methylsulfanyl)-4,5-dihydro-1,2,4-triazin-5-one

IUPAC name

6-tert-butyl-4-[(E)-[(4-hydroxy-3-methoxyphenyl)methylidene]amino]-3-(methylsulfanyl)-45-dihydro-124-triazin-5-one

SMILES

CC(C)(C)C(C(N1/N=C/c(cc2)cc(OC)c2O)=O)=NN=C1SC

InChI

InChI=1S/C16H20N4O3S/c1-16(2,3)13-14(22)20(15(24-5)19-18-13)17-9-10-6-7-11(21)12(8-10)23-4/h6-9,21H,1-5H3

InChI Key

ODHAACMCYRPXDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.268

Water Solubility, LogSw

-2.62

Polar Surface Area

71.203

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

2595-0270 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2595-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-0270?
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What is the minimum amount of 2595-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-0270
  • 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 2595-0270 available by request