8016-2638 Screening compound: 3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

8016-2638 Screening compound: 3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
8016-2638 Screening compound: 3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2638
3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

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

8016-2638

Molecular Formula

C11H12N4O4S2 (C11 H12 N4 O4 S2)

Compound Name

3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole

IUPAC name

3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-124-triazole

SMILES

CCS(c(cc1)cc([N+]([O-])=O)c1Sc1nncn1C)(=O)=O

InChI

InChI=1S/C11H12N4O4S2/c1-3-21(18,19)8-4-5-10(9(6-8)15(16)17)20-11-13-12-7-14(11)2/h4-7H,3H2,1-2H3

InChI Key

HIKQHKVDDXOZHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.495

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-2.40

Polar Surface Area

87.849

Acid Dissociation Constant (pKa)

21.23

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8016-2638 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-2638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2638?
Check Price and Availability of 8016-2638, 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 8016-2638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2638
  • 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 8016-2638 available by request