D064-0284 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0284 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0284 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0284
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(3-methoxyphenyl)-[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

D064-0284

Molecular Formula

C18H14N4O3S (C18 H14 N4 O3 S)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(23-dihydro-14-benzodioxin-2-yl)-6-(3-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc1cccc(-c(s2)nn3c2nnc3C2Oc(cccc3)c3OC2)c1

InChI

InChI=1S/C18H14N4O3S/c1-23-12-6-4-5-11(9-12)17-21-22-16(19-20-18(22)26-17)15-10-24-13-7-2-3-8-14(13)25-15/h2-9,15H,10H2,1H3/t15-/m0/s1

InChI Key

XEJKFTHQOJLWED-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06590399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.82

Polar Surface Area

56.702

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D064-0284 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D064-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0284?
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What is the minimum amount of D064-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0284
  • 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 D064-0284 available by request