D064-0417 Screening compound: 1-{[6-(1-benzofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole

D064-0417 Screening compound: 1-{[6-(1-benzofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole
D064-0417 Screening compound: 1-{[6-(1-benzofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0417
1-{[6-(1-benzofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole

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

D064-0417

Molecular Formula

C18H11N7OS (C18 H11 N7 OS)

Compound Name

1-{[6-(1-benzofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole

IUPAC name

1-{[6-(1-benzofuran-2-yl)-[124]triazolo[34-b][134]thiadiazol-3-yl]methyl}-1H-123-benzotriazole

SMILES

C(c1nnc2sc(-c3cc(cccc4)c4o3)nn12)n1nnc2c1cccc2

InChI

InChI=1S/C18H11N7OS/c1-4-8-14-11(5-1)9-15(26-14)17-22-25-16(20-21-18(25)27-17)10-24-13-7-3-2-6-12(13)19-23-24/h1-9H,10H2

InChI Key

UJBBMHLKYCQUNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06612248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.953

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-3.29

Polar Surface Area

68.688

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D064-0417 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D064-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0417?
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What is the minimum amount of D064-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0417
  • 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 D064-0417 available by request