8014-1946 Screening compound: ethyl 2-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate

8014-1946 Screening compound: ethyl 2-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate
8014-1946 Screening compound: ethyl 2-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1946
ethyl 2-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate

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

8014-1946

Molecular Formula

C13H18N6O3S2 (C13 H18 N6 O3 S2)

Compound Name

ethyl 2-(5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamido}-1,3,4-thiadiazol-2-yl)acetate

IUPAC name

ethyl 2-(5-{2-[(4-methyl-4H-124-triazol-3-yl)sulfanyl]butanamido}-134-thiadiazol-2-yl)acetate

SMILES

CCC(C(Nc1nnc(CC(OCC)=O)s1)=O)Sc1nncn1C

InChI

InChI=1S/C13H18N6O3S2/c1-4-8(23-13-18-14-7-19(13)3)11(21)15-12-17-16-9(24-12)6-10(20)22-5-2/h7-8H,4-6H2,1-3H3,(H,15,17,21)/t8-/m0/s1

InChI Key

AMFKMOLYLKHMPX-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03768087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.461

Distribution Coefficient, logD

1.418

Water Solubility, LogSw

-2.17

Polar Surface Area

93.294

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

8014-1946 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-1946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1946?
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What is the minimum amount of 8014-1946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1946
  • 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 8014-1946 available by request