8019-9203 Screening compound: 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8019-9203 Screening compound: 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8019-9203 Screening compound: 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9203
4-(1,3-benzodioxol-5-ylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-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

8019-9203

Molecular Formula

C14H11N5O2S (C14 H11 N5 O2 S)

Compound Name

4-(1,3-benzodioxol-5-ylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

n/a

SMILES

Sc1nnc(-c2nccnc2)n1Cc(cc1)cc2c1OCO2

InChI

InChI=1S/C14H11N5O2S/c22-14-18-17-13(10-6-15-3-4-16-10)19(14)7-9-1-2-11-12(5-9)21-8-20-11/h1-6H,7-8H2,(H,18,22)

InChI Key

AJUHRBQWBWKTDL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.385

Distribution Coefficient, logD

1.039

Water Solubility, LogSw

-1.29

Polar Surface Area

58.396

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8019-9203 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-9203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9203?
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What is the minimum amount of 8019-9203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9203
  • 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 8019-9203 available by request