D064-0204 Screening compound: 6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0204 Screening compound: 6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0204 Screening compound: 6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0204
6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(3,4,5-trimethoxyphenyl)-[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

D064-0204

Molecular Formula

C20H18N4O5S (C20 H18 N4 O5 S)

Compound Name

6-(2,3-dihydro-1,4-benzodioxin-2-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

6-(23-dihydro-14-benzodioxin-2-yl)-3-(345-trimethoxyphenyl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc1cc(-c2nnc3sc(C4Oc(cccc5)c5OC4)nn23)cc(OC)c1OC

InChI

InChI=1S/C20H18N4O5S/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-21-22-20-24(18)23-19(30-20)16-10-28-12-6-4-5-7-13(12)29-16/h4-9,16H,10H2,1-3H3/t16-/m0/s1

InChI Key

QCOFKTIIQILBPB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14811671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.16

Polar Surface Area

72.137

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D064-0204 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D064-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0204?
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What is the minimum amount of D064-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0204
  • 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 D064-0204 available by request