Y031-3129 Screening compound: N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide

Y031-3129 Screening compound: N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide
Y031-3129 Screening compound: N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3129
N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide

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

Y031-3129

Molecular Formula

C14H11N3O2S2 (C14 H11 N3 O2 S2)

Compound Name

N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}furan-2-carboxamide

IUPAC name

N-{5-[(phenylsulfanyl)methyl]-134-thiadiazol-2-yl}furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc1nnc(CSc2ccccc2)s1

InChI

InChI=1S/C14H11N3O2S2/c18-13(11-7-4-8-19-11)15-14-17-16-12(21-14)9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)

InChI Key

ZNPBHDHTQYAMGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07150808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.283

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-3.52

Polar Surface Area

55.677

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

Y031-3129 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-3129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3129?
Check Price and Availability of Y031-3129, 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 Y031-3129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3129
  • 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 Y031-3129 available by request