Y205-5802 Screening compound: 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole

Y205-5802 Screening compound: 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Y205-5802 Screening compound: 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-5802
3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-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

Y205-5802

Molecular Formula

C17H19ClN6O3S (C17 H19 ClN6 O3 S)

Compound Name

3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-124-triazole

SMILES

Cc(cc(cc1)Cl)c1OCCCc(n1C)nnc1SCn1ncc([N+]([O-])=O)c1

InChI

InChI=1S/C17H19ClN6O3S/c1-12-8-13(18)5-6-15(12)27-7-3-4-16-20-21-17(22(16)2)28-11-23-10-14(9-19-23)24(25)26/h5-6,8-10H,3-4,7,11H2,1-2H3

InChI Key

CEUQTMDKSCQUEI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.602

Water Solubility, LogSw

-3.78

Polar Surface Area

79.818

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with Y205-5802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-5802?
Check Price and Availability of Y205-5802, 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 Y205-5802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-5802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-5802
  • 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 Y205-5802 available by request