8019-4083 Screening compound: 2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-(5-methyl-2-furyl)-1,3,4-oxadiazole

8019-4083 Screening compound: 2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-(5-methyl-2-furyl)-1,3,4-oxadiazole
8019-4083 Screening compound: 2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-(5-methyl-2-furyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4083
2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-(5-methyl-2-furyl)-1,3,4-oxadiazole

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

8019-4083

Molecular Formula

C17H15N3O3S2 (C17 H15 N3 O3 S2)

Compound Name

2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-(5-methyl-2-furyl)-1,3,4-oxadiazole

IUPAC name

6-ethoxy-2-({[5-(5-methylfuran-2-yl)-134-oxadiazol-2-yl]methyl}sulfanyl)-13-benzothiazole

SMILES

CCOc(cc1)cc2c1nc(SCc1nnc(-c3ccc(C)o3)o1)s2

InChI

InChI=1S/C17H15N3O3S2/c1-3-21-11-5-6-12-14(8-11)25-17(18-12)24-9-15-19-20-16(23-15)13-7-4-10(2)22-13/h4-8H,3,9H2,1-2H3

InChI Key

AMRQKIWOFSSEQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.37

Polar Surface Area

54.446

Acid Dissociation Constant (pKa)

26.60

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8019-4083 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8019-4083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4083?
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What is the minimum amount of 8019-4083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4083
  • 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 8019-4083 available by request