8018-8727 Screening compound: 4-[5-(ethanesulfonyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine

8018-8727 Screening compound: 4-[5-(ethanesulfonyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
8018-8727 Screening compound: 4-[5-(ethanesulfonyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8727
4-[5-(ethanesulfonyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine

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

8018-8727

Molecular Formula

C7H10N6O3S (C7 H10 N6 O3 S)

Compound Name

4-[5-(ethanesulfonyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine

IUPAC name

4-[5-(ethanesulfonyl)-4-methyl-4H-124-triazol-3-yl]-125-oxadiazol-3-amine

SMILES

CCS(c1nnc(-c2nonc2N)n1C)(=O)=O

InChI

InChI=1S/C7H10N6O3S/c1-3-17(14,15)7-10-9-6(13(7)2)4-5(8)12-16-11-4/h3H2,1-2H3,(H2,8,12)

InChI Key

XRJODFCVIYRJFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08445365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.516

Distribution Coefficient, logD

-0.516

Water Solubility, LogSw

-0.68

Polar Surface Area

111.815

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8018-8727 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-8727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8727?
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What is the minimum amount of 8018-8727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8727
  • 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 8018-8727 available by request