6979-0590 Screening compound: 3-butoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

6979-0590 Screening compound: 3-butoxy-N-(2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide
6979-0590 Screening compound: 3-butoxy-N-(2-methyl-5-{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 6979-0590
3-butoxy-N-(2-methyl-5-{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

6979-0590

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

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

IUPAC name

3-butoxy-N-(2-methyl-5-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)benzamide

SMILES

CCCCOc1cccc(C(Nc2c(C)ccc(-c(s3)nn4c3nnc4C)c2)=O)c1

InChI

InChI=1S/C22H23N5O2S/c1-4-5-11-29-18-8-6-7-16(12-18)20(28)23-19-13-17(10-9-14(19)2)21-26-27-15(3)24-25-22(27)30-21/h6-10,12-13H,4-5,11H2,1-3H3,(H,23,28)

InChI Key

FISIPUSCNXDHSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04403516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.18

Polar Surface Area

64.581

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

6979-0590 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6979-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6979-0590?
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What is the minimum amount of 6979-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6979-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6979-0590
  • 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 6979-0590 available by request