8015-8396 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide

8015-8396 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide
8015-8396 Screening compound: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8396
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide

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

8015-8396

Molecular Formula

C11H6ClN5O4S2 (C11 H6 ClN5 O4 S2)

Compound Name

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitro-1,2,5-oxadiazol-3-yl)acetamide

IUPAC name

2-[(5-chloro-13-benzothiazol-2-yl)sulfanyl]-N-(4-nitro-125-oxadiazol-3-yl)acetamide

SMILES

[O-][N+](c1nonc1NC(CSc1nc(cc(cc2)Cl)c2s1)=O)=O

InChI

InChI=1S/C11H6ClN5O4S2/c12-5-1-2-7-6(3-5)13-11(23-7)22-4-8(18)14-9-10(17(19)20)16-21-15-9/h1-3H,4H2,(H,14,15,18)

InChI Key

OEXFFTALKYAMRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.78

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

1.391

Water Solubility, LogSw

-3.93

Polar Surface Area

101.770

Acid Dissociation Constant (pKa)

5.20

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8015-8396 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 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 8015-8396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8396?
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What is the minimum amount of 8015-8396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8396
  • 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 8015-8396 available by request