J011-0338 Screening compound: 3-bromo-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]-4-methoxybenzamide

J011-0338 Screening compound: 3-bromo-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]-4-methoxybenzamide
J011-0338 Screening compound: 3-bromo-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J011-0338
3-bromo-N-[(4-{3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]-4-methoxybenzamide

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

J011-0338

Molecular Formula

C20H18BrN5O2S (C20 H18 BrN5 O2 S)

Compound Name

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

IUPAC name

3-bromo-N-[(4-{3-ethyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)methyl]-4-methoxybenzamide

SMILES

CCc1nnc2sc(-c3ccc(CNC(c(cc4)cc(Br)c4OC)=O)cc3)nn12

InChI

InChI=1S/C20H18BrN5O2S/c1-3-17-23-24-20-26(17)25-19(29-20)13-6-4-12(5-7-13)11-22-18(27)14-8-9-16(28-2)15(21)10-14/h4-10H,3,11H2,1-2H3,(H,22,27)

InChI Key

BIZCLFMTERFXJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09960626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.74

Polar Surface Area

67.013

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with J011-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J011-0338?
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What is the minimum amount of J011-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J011-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J011-0338
  • 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 J011-0338 available by request