8006-5053 Screening compound: 3,4-bis(2-amino-1,3-thiazol-4-yl)-1,2,5-oxadiazol-2-ium-2-olate

8006-5053 Screening compound: 3,4-bis(2-amino-1,3-thiazol-4-yl)-1,2,5-oxadiazol-2-ium-2-olate
8006-5053 Screening compound: 3,4-bis(2-amino-1,3-thiazol-4-yl)-1,2,5-oxadiazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5053
3,4-bis(2-amino-1,3-thiazol-4-yl)-1,2,5-oxadiazol-2-ium-2-olate

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

8006-5053

Molecular Formula

C8H6N6O2S2 (C8 H6 N6 O2 S2)

Compound Name

3,4-bis(2-amino-1,3-thiazol-4-yl)-1,2,5-oxadiazol-2-ium-2-olate

IUPAC name

bis(2-amino-13-thiazol-4-yl)-125-oxadiazol-2-ium-2-olate

SMILES

Nc1nc(-c2no[n+]([O-])c2-c2csc(N)n2)cs1

InChI

InChI=1S/C8H6N6O2S2/c9-7-11-3(1-17-7)5-6(14(15)16-13-5)4-2-18-8(10)12-4/h1-2H,(H2,9,11)(H2,10,12)

InChI Key

DODOXNWLHQTPBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825451

Chemical and Physical Properties

Saltdata

2HBr

Molecular Weight

282.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.006

Distribution Coefficient, logD

1.006

Water Solubility, LogSw

-1.39

Polar Surface Area

102.334

Acid Dissociation Constant (pKa)

20.73

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-5053 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8006-5053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5053?
Check Price and Availability of 8006-5053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-5053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5053
  • 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 8006-5053 available by request