Y504-9115 Screening compound: 4-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-ethyl-4H-1,2,4-triazol-3-ylhydrosulfide

Y504-9115 Screening compound: 4-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-ethyl-4H-1,2,4-triazol-3-ylhydrosulfide
Y504-9115 Screening compound: 4-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-ethyl-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-9115
4-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-ethyl-4H-1,2,4-triazol-3-ylhydrosulfide

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

Y504-9115

Molecular Formula

C16H17Cl2N5S (C16 H17 Cl2 N5 S)

Compound Name

4-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-ethyl-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

n/a

SMILES

CCc(n1-c2c(C)n(Cc(ccc(Cl)c3)c3Cl)nc2C)nnc1S

InChI

InChI=1S/C16H17Cl2N5S/c1-4-14-19-20-16(24)23(14)15-9(2)21-22(10(15)3)8-11-5-6-12(17)7-13(11)18/h5-7H,4,8H2,1-3H3,(H,20,24)

InChI Key

BJVDAFYDCSCXAV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

0.820

Water Solubility, LogSw

-3.54

Polar Surface Area

38.385

Acid Dissociation Constant (pKa)

2.21

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

Y504-9115 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y504-9115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-9115?
Check Price and Availability of Y504-9115, 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 Y504-9115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-9115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-9115
  • 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 Y504-9115 available by request