Y502-6342 Screening compound: 2-(2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N~1~-(1-phenylethyl)-1-hydrazinecarbothioamide

Y502-6342 Screening compound: 2-(2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N~1~-(1-phenylethyl)-1-hydrazinecarbothioamide
Y502-6342 Screening compound: 2-(2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N~1~-(1-phenylethyl)-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6342
2-(2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N~1~-(1-phenylethyl)-1-hydrazinecarbothioamide

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

Y502-6342

Molecular Formula

C22H28N8O2S2 (C22 H28 N8 O2 S2)

Compound Name

2-(2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N~1~-(1-phenylethyl)-1-hydrazinecarbothioamide

IUPAC name

2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}-N-{[(1-phenylethyl)carbamothioyl]amino}acetamide

SMILES

CC(c1ccccc1)NC(NNC(CSc1nnc(-c2nn(C)cc2)n1CC1OCCC1)=O)=S

InChI

InChI=1S/C22H28N8O2S2/c1-15(16-7-4-3-5-8-16)23-21(33)26-24-19(31)14-34-22-27-25-20(18-10-11-29(2)28-18)30(22)13-17-9-6-12-32-17/h3-5,7-8,10-11,15,17H,6,9,12-14H2,1-2H3,(H,24,31)(H2,23,26,33)

InChI Key

ASSYUNAPOYBONP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.127

Distribution Coefficient, logD

1.082

Water Solubility, LogSw

-2.14

Polar Surface Area

94.787

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with Y502-6342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6342?
Check Price and Availability of Y502-6342, 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 Y502-6342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6342
  • 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 Y502-6342 available by request