G857-1416 Screening compound: 1-[7-acetyl-6-(3,4-dichlorophenyl)-3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one

G857-1416 Screening compound: 1-[7-acetyl-6-(3,4-dichlorophenyl)-3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one
G857-1416 Screening compound: 1-[7-acetyl-6-(3,4-dichlorophenyl)-3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1416
1-[7-acetyl-6-(3,4-dichlorophenyl)-3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-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

G857-1416

Molecular Formula

C16H14Cl2N4O2S (C16 H14 Cl2 N4 O2 S)

Compound Name

1-[7-acetyl-6-(3,4-dichlorophenyl)-3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one

IUPAC name

1-[7-acetyl-6-(34-dichlorophenyl)-3-ethyl-5H-[124]triazolo[34-b][134]thiadiazin-5-yl]ethan-1-one

SMILES

CCc1nnc2SC(C(C)=O)=C(c(cc3)cc(Cl)c3Cl)N(C(C)=O)n12

InChI

InChI=1S/C16H14Cl2N4O2S/c1-4-13-19-20-16-22(13)21(9(3)24)14(15(25-16)8(2)23)10-5-6-11(17)12(18)7-10/h5-7H,4H2,1-3H3

InChI Key

ZFCOGQUYLPDBAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06733152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.56

Polar Surface Area

54.662

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G857-1416 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G857-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1416?
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What is the minimum amount of G857-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1416
  • 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 G857-1416 available by request