8020-1576 Screening compound: N-{4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenyl}acetamide

8020-1576 Screening compound: N-{4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenyl}acetamide
8020-1576 Screening compound: N-{4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1576
N-{4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenyl}acetamide

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

8020-1576

Molecular Formula

C18H14BrN5OS (C18 H14 BrN5 OS)

Compound Name

N-{4-[3-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenyl}acetamide

IUPAC name

N-{4-[3-(4-bromophenyl)-7H-[124]triazolo[34-b][134]thiadiazin-6-yl]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1C(CS1)=Nn2c1nnc2-c(cc1)ccc1Br)=O

InChI

InChI=1S/C18H14BrN5OS/c1-11(25)20-15-8-4-12(5-9-15)16-10-26-18-22-21-17(24(18)23-16)13-2-6-14(19)7-3-13/h2-9H,10H2,1H3,(H,20,25)

InChI Key

TVETXQNTBUDZBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08706510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.026

Water Solubility, LogSw

-4.08

Polar Surface Area

57.220

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8020-1576 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8020-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1576?
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What is the minimum amount of 8020-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1576
  • 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 8020-1576 available by request