G857-1420 Screening compound: 1-[7-acetyl-3-(4-chlorophenyl)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one

G857-1420 Screening compound: 1-[7-acetyl-3-(4-chlorophenyl)-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]ethan-1-one
G857-1420 Screening compound: 1-[7-acetyl-3-(4-chlorophenyl)-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 G857-1420
1-[7-acetyl-3-(4-chlorophenyl)-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

G857-1420

Molecular Formula

C20H14ClN5O4S (C20 H14 ClN5 O4 S)

Compound Name

1-[7-acetyl-3-(4-chlorophenyl)-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-(4-chlorophenyl)-6-(3-nitrophenyl)-5H-[124]triazolo[34-b][134]thiadiazin-5-yl]ethan-1-one

SMILES

CC(C(S1)=C(c2cc([N+]([O-])=O)ccc2)N(C(C)=O)n2c1nnc2-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H14ClN5O4S/c1-11(27)18-17(14-4-3-5-16(10-14)26(29)30)24(12(2)28)25-19(22-23-20(25)31-18)13-6-8-15(21)9-7-13/h3-10H,1-2H3

InChI Key

ZDWVBEREXFVZBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06733156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.88

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

3.924

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-4.42

Polar Surface Area

86.796

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with G857-1420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1420?
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What is the minimum amount of G857-1420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1420
  • 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 G857-1420 available by request