7259-6126 Screening compound: 5-chloro-2-methoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

7259-6126 Screening compound: 5-chloro-2-methoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide
7259-6126 Screening compound: 5-chloro-2-methoxy-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 7259-6126
5-chloro-2-methoxy-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

7259-6126

Molecular Formula

C19H16ClN5O2S (C19 H16 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc2sc(-c3cc(NC(c(cc(cc4)Cl)c4OC)=O)c(C)cc3)nn12

InChI

InChI=1S/C19H16ClN5O2S/c1-10-4-5-12(18-24-25-11(2)22-23-19(25)28-18)8-15(10)21-17(26)14-9-13(20)6-7-16(14)27-3/h4-9H,1-3H3,(H,21,26)

InChI Key

ORZMZUVYROBHNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04396384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.89

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

3.429

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.99

Polar Surface Area

64.794

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

7259-6126 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7259-6126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7259-6126?
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What is the minimum amount of 7259-6126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7259-6126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7259-6126
  • 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 7259-6126 available by request