D727-0018 Screening compound: 3-(3,4-dimethoxyphenyl)-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D727-0018 Screening compound: 3-(3,4-dimethoxyphenyl)-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D727-0018 Screening compound: 3-(3,4-dimethoxyphenyl)-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0018
3-(3,4-dimethoxyphenyl)-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D727-0018

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

3-(3,4-dimethoxyphenyl)-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(34-dimethoxyphenyl)-6-[(2-methylphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Cc(cccc1)c1OCc(s1)nn2c1nnc2-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C19H18N4O3S/c1-12-6-4-5-7-14(12)26-11-17-22-23-18(20-21-19(23)27-17)13-8-9-15(24-2)16(10-13)25-3/h4-10H,11H2,1-3H3

InChI Key

HNRSAZFHANTBOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.541

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-3.76

Polar Surface Area

57.063

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D727-0018 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D727-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0018?
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What is the minimum amount of D727-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0018
  • 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 D727-0018 available by request