D727-0402 Screening compound: 4-{3-CYCLOHEXYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL}-2-METHYLQUINOLINE

D727-0402 Screening compound: 4-{3-CYCLOHEXYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL}-2-METHYLQUINOLINE
D727-0402 Screening compound: 4-{3-CYCLOHEXYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL}-2-METHYLQUINOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0402
4-{3-CYCLOHEXYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL}-2-METHYLQUINOLINE

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

D727-0402

Molecular Formula

C19H19N5S (C19 H19 N5 S)

Compound Name

4-{3-CYCLOHEXYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL}-2-METHYLQUINOLINE

IUPAC name

n/a

SMILES

Cc1nc2ccccc2c(-c(s2)nn3c2nnc3C2CCCCC2)c1

InChI

InChI=1S/C19H19N5S/c1-12-11-15(14-9-5-6-10-16(14)20-12)18-23-24-17(21-22-19(24)25-18)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3

InChI Key

VSQLWTJKQFXLFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09183699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.33

Polar Surface Area

42.051

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D727-0402 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D727-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0402?
Check Price and Availability of D727-0402, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D727-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0402
  • 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 D727-0402 available by request