8017-1470 Screening compound: N~1~-[6-(tert-butyl)-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide

8017-1470 Screening compound: N~1~-[6-(tert-butyl)-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide
8017-1470 Screening compound: N~1~-[6-(tert-butyl)-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1470
N~1~-[6-(tert-butyl)-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide

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

8017-1470

Molecular Formula

C15H17ClN4O2S (C15 H17 ClN4 O2 S)

Compound Name

N~1~-[6-(tert-butyl)-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide

IUPAC name

N-[6-tert-butyl-3-(methylsulfanyl)-5-oxo-45-dihydro-124-triazin-4-yl]-2-chlorobenzamide

SMILES

CC(C)(C)C(C(N1NC(c(cccc2)c2Cl)=O)=O)=NN=C1SC

InChI

InChI=1S/C15H17ClN4O2S/c1-15(2,3)11-13(22)20(14(23-4)18-17-11)19-12(21)9-7-5-6-8-10(9)16/h5-8H,1-4H3,(H,19,21)

InChI Key

SOHMMQLUNXQHOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03459594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

1.727

Water Solubility, LogSw

-3.66

Polar Surface Area

63.010

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8017-1470 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 8017-1470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1470?
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What is the minimum amount of 8017-1470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1470
  • 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 8017-1470 available by request