7139-8068 Screening compound: 3,4,5-trimethoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

7139-8068 Screening compound: 3,4,5-trimethoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide
7139-8068 Screening compound: 3,4,5-trimethoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7139-8068
3,4,5-trimethoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

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

7139-8068

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

3,4,5-trimethoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

IUPAC name

345-trimethoxy-N-(4-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)benzamide

SMILES

Cc1nnc2sc(-c(cc3)ccc3NC(c(cc3OC)cc(OC)c3OC)=O)nn12

InChI

InChI=1S/C20H19N5O4S/c1-11-22-23-20-25(11)24-19(30-20)12-5-7-14(8-6-12)21-18(26)13-9-15(27-2)17(29-4)16(10-13)28-3/h5-10H,1-4H3,(H,21,26)

InChI Key

SADXXXWICOYQRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05798529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-3.11

Polar Surface Area

80.839

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 7139-8068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7139-8068?
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What is the minimum amount of 7139-8068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7139-8068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7139-8068
  • 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 7139-8068 available by request