G857-1422 Screening compound: 1-[7-acetyl-3-ethyl-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one

G857-1422 Screening compound: 1-[7-acetyl-3-ethyl-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one
G857-1422 Screening compound: 1-[7-acetyl-3-ethyl-6-(3-nitrophenyl)-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 G857-1422
1-[7-acetyl-3-ethyl-6-(3-nitrophenyl)-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

G857-1422

Molecular Formula

C16H15N5O4S (C16 H15 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc2SC(C(C)=O)=C(c3cc([N+]([O-])=O)ccc3)N(C(C)=O)n12

InChI

InChI=1S/C16H15N5O4S/c1-4-13-17-18-16-20(13)19(10(3)23)14(15(26-16)9(2)22)11-6-5-7-12(8-11)21(24)25/h5-8H,4H2,1-3H3

InChI Key

MHBMXVZAWOKQAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06733158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

1.923

Water Solubility, LogSw

-2.38

Polar Surface Area

88.044

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G857-1422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1422?
Check Price and Availability of G857-1422, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G857-1422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1422
  • 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 G857-1422 available by request