8004-2058 Screening compound: 5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-ylhydrosulfide

8004-2058 Screening compound: 5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-ylhydrosulfide
8004-2058 Screening compound: 5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2058
5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-ylhydrosulfide

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

8004-2058

Molecular Formula

C11H6ClN7OS (C11 H6 ClN7 OS)

Compound Name

5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-ylhydrosulfide

IUPAC name

8-[(4-chlorophenyl)amino]-4-oxa-13571011-hexaazatricyclo[7.3.0.0^{26}]dodeca-257911-pentaene-12-thiol

SMILES

Sc1nnc2n1c1nonc1nc2Nc(cc1)ccc1Cl

InChI

InChI=1S/C11H6ClN7OS/c12-5-1-3-6(4-2-5)13-7-9-15-16-11(21)19(9)10-8(14-7)17-20-18-10/h1-4H,(H,16,21)(H,13,14,17)

InChI Key

HJDQOHBHMAFNFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.837

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-3.63

Polar Surface Area

76.331

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-2058 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-2058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2058?
Check Price and Availability of 8004-2058, 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 8004-2058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2058
  • 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 8004-2058 available by request