6529-0229 Screening compound: 1-(ethanesulfonyl)-3-(4-methylphenyl)-1H-1,2,4-triazol-5-amine

6529-0229 Screening compound: 1-(ethanesulfonyl)-3-(4-methylphenyl)-1H-1,2,4-triazol-5-amine
6529-0229 Screening compound: 1-(ethanesulfonyl)-3-(4-methylphenyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6529-0229
1-(ethanesulfonyl)-3-(4-methylphenyl)-1H-1,2,4-triazol-5-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

6529-0229

Molecular Formula

C11H14N4O2S (C11 H14 N4 O2 S)

Compound Name

1-(ethanesulfonyl)-3-(4-methylphenyl)-1H-1,2,4-triazol-5-amine

IUPAC name

1-(ethanesulfonyl)-3-(4-methylphenyl)-1H-124-triazol-5-amine

SMILES

CCS(n1nc(-c2ccc(C)cc2)nc1N)(=O)=O

InChI

InChI=1S/C11H14N4O2S/c1-3-18(16,17)15-11(12)13-10(14-15)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,12,13,14)

InChI Key

FNOXDPQOAVFNOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04323081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.615

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-2.31

Polar Surface Area

71.019

Acid Dissociation Constant (pKa)

19.67

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

6529-0229 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 6529-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6529-0229?
Check Price and Availability of 6529-0229, 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 6529-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6529-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6529-0229
  • 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 6529-0229 available by request