7623-0684 Screening compound: 3-[(2-chloro-5-methylphenoxy)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

7623-0684 Screening compound: 3-[(2-chloro-5-methylphenoxy)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
7623-0684 Screening compound: 3-[(2-chloro-5-methylphenoxy)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7623-0684
3-[(2-chloro-5-methylphenoxy)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

7623-0684

Molecular Formula

C19H17ClN4OS (C19 H17 ClN4 OS)

Compound Name

3-[(2-chloro-5-methylphenoxy)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

3-[(2-chloro-5-methylphenoxy)methyl]-6-(4-methylphenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

Cc(cc1)ccc1C(CS1)=Nn2c1nnc2COc(cc(C)cc1)c1Cl

InChI

InChI=1S/C19H17ClN4OS/c1-12-3-6-14(7-4-12)16-11-26-19-22-21-18(24(19)23-16)10-25-17-9-13(2)5-8-15(17)20/h3-9H,10-11H2,1-2H3

InChI Key

QITCMTIMUDJEIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07808574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.876

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-5.03

Polar Surface Area

42.520

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7623-0684 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7623-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7623-0684?
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What is the minimum amount of 7623-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7623-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7623-0684
  • 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 7623-0684 available by request