7259-6124 Screening compound: 3-chloro-4-ethoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

7259-6124 Screening compound: 3-chloro-4-ethoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide
7259-6124 Screening compound: 3-chloro-4-ethoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7259-6124
3-chloro-4-ethoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

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

7259-6124

Molecular Formula

C20H18ClN5O2S (C20 H18 ClN5 O2 S)

Compound Name

3-chloro-4-ethoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

IUPAC name

3-chloro-4-ethoxy-N-(2-methyl-5-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)benzamide

SMILES

CCOc(ccc(C(Nc1c(C)ccc(-c(s2)nn3c2nnc3C)c1)=O)c1)c1Cl

InChI

InChI=1S/C20H18ClN5O2S/c1-4-28-17-8-7-13(9-15(17)21)18(27)22-16-10-14(6-5-11(16)2)19-25-26-12(3)23-24-20(26)29-19/h5-10H,4H2,1-3H3,(H,22,27)

InChI Key

RKPATFUGRUHKFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04387399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.90

Polar Surface Area

64.374

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 7259-6124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7259-6124?
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What is the minimum amount of 7259-6124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7259-6124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7259-6124
  • 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 7259-6124 available by request