D181-0063 Screening compound: 3-(2-methylfuran-3-yl)-6-[(1E)-2-[4-(propan-2-yl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D181-0063 Screening compound: 3-(2-methylfuran-3-yl)-6-[(1E)-2-[4-(propan-2-yl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D181-0063 Screening compound: 3-(2-methylfuran-3-yl)-6-[(1E)-2-[4-(propan-2-yl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D181-0063
3-(2-methylfuran-3-yl)-6-[(1E)-2-[4-(propan-2-yl)phenyl]ethenyl]-[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

D181-0063

Molecular Formula

C19H18N4OS (C19 H18 N4 OS)

Compound Name

3-(2-methylfuran-3-yl)-6-[(1E)-2-[4-(propan-2-yl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(2-methylfuran-3-yl)-6-[(1E)-2-[4-(propan-2-yl)phenyl]ethenyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

CC(C)c1ccc(/C=C/c(s2)nn3c2nnc3-c2c(C)occ2)cc1

InChI

InChI=1S/C19H18N4OS/c1-12(2)15-7-4-14(5-8-15)6-9-17-22-23-18(20-21-19(23)25-17)16-10-11-24-13(16)3/h4-12H,1-3H3

InChI Key

OBYKMVKRTFEPOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.41

Polar Surface Area

42.450

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D181-0063 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Immunological Library (6760 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D181-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D181-0063?
Check Price and Availability of D181-0063, 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 D181-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D181-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D181-0063
  • 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 D181-0063 available by request