Y503-2185 Screening compound: 4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-ylhydrosulfide

Y503-2185 Screening compound: 4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-ylhydrosulfide
Y503-2185 Screening compound: 4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-2185
4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-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

Y503-2185

Molecular Formula

C9H10F3N5S (C9 H10 F3 N5 S)

Compound Name

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

IUPAC name

4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-124-triazole-3-thiol

SMILES

CCn1c(S)nnc1-c1nn(C)c(C(F)(F)F)c1

InChI

InChI=1S/C9H10F3N5S/c1-3-17-7(13-14-8(17)18)5-4-6(9(10,11)12)16(2)15-5/h4H,3H2,1-2H3,(H,14,18)

InChI Key

MQLMDWGOVXPPFA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.483

Distribution Coefficient, logD

1.388

Water Solubility, LogSw

-1.30

Polar Surface Area

36.227

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with Y503-2185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-2185?
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What is the minimum amount of Y503-2185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-2185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-2185
  • 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 Y503-2185 available by request