Y502-6040 Screening compound: 3-(2-bromophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine

Y502-6040 Screening compound: 3-(2-bromophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine
Y502-6040 Screening compound: 3-(2-bromophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6040
3-(2-bromophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-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

Y502-6040

Molecular Formula

C10H11BrN4S (C10 H11 BrN4 S)

Compound Name

3-(2-bromophenyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amine

IUPAC name

3-(2-bromophenyl)-5-(ethylsulfanyl)-4H-124-triazol-4-amine

SMILES

CCSc1nnc(-c(cccc2)c2Br)n1N

InChI

InChI=1S/C10H11BrN4S/c1-2-16-10-14-13-9(15(10)12)7-5-3-4-6-8(7)11/h3-6H,2,12H2,1H3

InChI Key

KTCWSLYOGHVIIH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.157

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-2.62

Polar Surface Area

42.411

Acid Dissociation Constant (pKa)

18.77

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y502-6040 in Drug Discovery

Included in Screening Libraries

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y502-6040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6040?
Check Price and Availability of Y502-6040, 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 Y502-6040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6040
  • 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 Y502-6040 available by request