Y010-2012 Screening compound: 4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide

Y010-2012 Screening compound: 4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
Y010-2012 Screening compound: 4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-2012
4-(4-butylphenyl)-5-phenyl-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

Y010-2012

Molecular Formula

C18H19N3S (C18 H19 N3 S)

Compound Name

4-(4-butylphenyl)-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-(4-butylphenyl)-5-phenyl-4H-124-triazole-3-thiol

SMILES

CCCCc(cc1)ccc1-n1c(S)nnc1-c1ccccc1

InChI

InChI=1S/C18H19N3S/c1-2-3-7-14-10-12-16(13-11-14)21-17(19-20-18(21)22)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3,(H,20,22)

InChI Key

QNPQKJOMCYJFCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03612890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-5.19

Polar Surface Area

23.458

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

Y010-2012 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y010-2012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-2012?
Check Price and Availability of Y010-2012, 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 Y010-2012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-2012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-2012
  • 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 Y010-2012 available by request