8579-0031 Screening compound: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

8579-0031 Screening compound: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
8579-0031 Screening compound: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8579-0031
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

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

8579-0031

Molecular Formula

C21H19N3O3S2 (C21 H19 N3 O3 S2)

Compound Name

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

IUPAC name

2-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]-N-(5-methyl-12-oxazol-3-yl)-2-phenylacetamide

SMILES

CCOc(cc1)cc2c1nc(SC(C(Nc1noc(C)c1)=O)c1ccccc1)s2

InChI

InChI=1S/C21H19N3O3S2/c1-3-26-15-9-10-16-17(12-15)28-21(22-16)29-19(14-7-5-4-6-8-14)20(25)23-18-11-13(2)27-24-18/h4-12,19H,3H2,1-2H3,(H,23,24,25)/t19-/m1/s1

InChI Key

UCZVYEQQRIHZAG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD08572884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.998

Distribution Coefficient, logD

5.881

Water Solubility, LogSw

-5.49

Polar Surface Area

61.059

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8579-0031 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8579-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8579-0031?
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What is the minimum amount of 8579-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8579-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8579-0031
  • 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 8579-0031 available by request