D221-0308 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D221-0308 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D221-0308 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D221-0308
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(3,4-dimethoxyphenyl)methyl]-[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

D221-0308

Molecular Formula

C20H18N4O4S (C20 H18 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Cc(s1)nn2c1nnc2C1Oc(cccc2)c2OC1)c1)c1OC

InChI

InChI=1S/C20H18N4O4S/c1-25-13-8-7-12(9-16(13)26-2)10-18-23-24-19(21-22-20(24)29-18)17-11-27-14-5-3-4-6-15(14)28-17/h3-9,17H,10-11H2,1-2H3/t17-/m0/s1

InChI Key

AXFAUDATVDEIMM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06612615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.08

Polar Surface Area

64.915

Acid Dissociation Constant (pKa)

25.01

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D221-0308 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D221-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D221-0308?
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What is the minimum amount of D221-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D221-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D221-0308
  • 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 D221-0308 available by request