8020-5195 Screening compound: 3-(5-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8020-5195 Screening compound: 3-(5-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8020-5195 Screening compound: 3-(5-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5195
3-(5-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)[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

8020-5195

Molecular Formula

C15H11BrN4O2S2 (C15 H11 BrN4 O2 S2)

Compound Name

3-(5-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

n/a

SMILES

COc(ccc(-c(s1)nn2c1nnc2-c(s1)ccc1Br)c1)c1OC

InChI

InChI=1S/C15H11BrN4O2S2/c1-21-9-4-3-8(7-10(9)22-2)14-19-20-13(17-18-15(20)24-14)11-5-6-12(16)23-11/h3-7H,1-2H3

InChI Key

VBLPWSWSXNVFII-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-4.18

Polar Surface Area

50.001

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8020-5195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5195?
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What is the minimum amount of 8020-5195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5195
  • 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 8020-5195 available by request