J011-0234 Screening compound: 5-bromo-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]furan-2-carboxamide

J011-0234 Screening compound: 5-bromo-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]furan-2-carboxamide
J011-0234 Screening compound: 5-bromo-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0234
5-bromo-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]furan-2-carboxamide

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

J011-0234

Molecular Formula

C16H12BrN5O2S (C16 H12 BrN5 O2 S)

Compound Name

5-bromo-N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]furan-2-carboxamide

IUPAC name

5-bromo-N-[(4-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]furan-2-carboxamide

SMILES

Cc1nnc2sc(-c3ccc(CNC(c(o4)ccc4Br)=O)cc3)nn12

InChI

InChI=1S/C16H12BrN5O2S/c1-9-19-20-16-22(9)21-15(25-16)11-4-2-10(3-5-11)8-18-14(23)12-6-7-13(17)24-12/h2-7H,8H2,1H3,(H,18,23)

InChI Key

KWHSRAFFJQYGOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12130024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.192

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-2.56

Polar Surface Area

68.109

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

J011-0234 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with J011-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0234?
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What is the minimum amount of J011-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0234
  • 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 J011-0234 available by request