7629-1307 Screening compound: N-[(2-methoxyphenyl)methyl]-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

7629-1307 Screening compound: N-[(2-methoxyphenyl)methyl]-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline
7629-1307 Screening compound: N-[(2-methoxyphenyl)methyl]-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7629-1307
N-[(2-methoxyphenyl)methyl]-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

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

7629-1307

Molecular Formula

C19H19N5OS (C19 H19 N5 OS)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-methyl-5-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}aniline

SMILES

Cc1nnc2sc(-c3cc(NCc(cccc4)c4OC)c(C)cc3)nn12

InChI

InChI=1S/C19H19N5OS/c1-12-8-9-14(18-23-24-13(2)21-22-19(24)26-18)10-16(12)20-11-15-6-4-5-7-17(15)25-3/h4-10,20H,11H2,1-3H3

InChI Key

KHHSWBGSYVDDFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-3.69

Polar Surface Area

51.937

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 7629-1307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7629-1307?
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What is the minimum amount of 7629-1307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7629-1307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7629-1307
  • 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 7629-1307 available by request