8009-1551 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

8009-1551 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
8009-1551 Screening compound: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1551
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

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

8009-1551

Molecular Formula

C10H14N4OS3 (C10 H14 N4 OS3)

Compound Name

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

IUPAC name

2-(45-dihydro-13-thiazol-2-ylsulfanyl)-N-(5-methyl-134-thiadiazol-2-yl)butanamide

SMILES

CCC(C(Nc1nnc(C)s1)=O)SC1=NCCS1

InChI

InChI=1S/C10H14N4OS3/c1-3-7(18-10-11-4-5-16-10)8(15)12-9-14-13-6(2)17-9/h7H,3-5H2,1-2H3,(H,12,14,15)

InChI Key

AMZITHMTGOZJMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.406

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-2.69

Polar Surface Area

56.395

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

8009-1551 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8009-1551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1551?
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What is the minimum amount of 8009-1551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1551
  • 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 8009-1551 available by request