D064-0355 Screening compound: 1-({6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole

D064-0355 Screening compound: 1-({6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole
D064-0355 Screening compound: 1-({6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0355
1-({6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-1,3-benzodiazole

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

D064-0355

Molecular Formula

C18H13ClN6OS (C18 H13 ClN6 OS)

Compound Name

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

IUPAC name

1-({6-[(2-chlorophenoxy)methyl]-[124]triazolo[34-b][134]thiadiazol-3-yl}methyl)-1H-13-benzodiazole

SMILES

Clc(cccc1)c1OCc(s1)nn2c1nnc2Cn1c(cccc2)c2nc1

InChI

InChI=1S/C18H13ClN6OS/c19-12-5-1-4-8-15(12)26-10-17-23-25-16(21-22-18(25)27-17)9-24-11-20-13-6-2-3-7-14(13)24/h1-8,11H,9-10H2

InChI Key

LECIYGJRQBCWJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

1.439

Water Solubility, LogSw

-2.99

Polar Surface Area

53.235

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D064-0355 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D064-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0355?
Check Price and Availability of D064-0355, 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 D064-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0355
  • 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 D064-0355 available by request