Y503-4169 Screening compound: methyl 1-{[(4-{[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate

Y503-4169 Screening compound: methyl 1-{[(4-{[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Y503-4169 Screening compound: methyl 1-{[(4-{[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4169
methyl 1-{[(4-{[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate

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

Y503-4169

Molecular Formula

C14H16N8O2S (C14 H16 N8 O2 S)

Compound Name

methyl 1-{[(4-{[(E)-1-(1-ethyl-1H-pyrazol-3-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate

IUPAC name

methyl 1-[({4-[(E)-[(1-ethyl-1H-pyrazol-3-yl)methylidene]amino]-4H-124-triazol-3-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate

SMILES

CCn1nc(/C=N/n2c(SCn(cc3)nc3C(OC)=O)nnc2)cc1

InChI

InChI=1S/C14H16N8O2S/c1-3-20-6-4-11(18-20)8-16-22-9-15-17-14(22)25-10-21-7-5-12(19-21)13(23)24-2/h4-9H,3,10H2,1-2H3

InChI Key

ISHRYKRVYNFGRT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.000

Distribution Coefficient, logD

-0.007

Water Solubility, LogSw

-1.90

Polar Surface Area

83.485

Acid Dissociation Constant (pKa)

29.24

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with Y503-4169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4169?
Check Price and Availability of Y503-4169, 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 Y503-4169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4169
  • 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 Y503-4169 available by request