V014-2558 Screening compound: N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide

V014-2558 Screening compound: N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
V014-2558 Screening compound: N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2558
N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide

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

V014-2558

Molecular Formula

C13H15N3OS2 (C13 H15 N3 OS2)

Compound Name

N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide

IUPAC name

N-(5-{[(4-methylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)propanamide

SMILES

CCC(Nc1nnc(SCc2ccc(C)cc2)s1)=O

InChI

InChI=1S/C13H15N3OS2/c1-3-11(17)14-12-15-16-13(19-12)18-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,15,17)

InChI Key

ZQRXIJKHZQFMJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05934627

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

293.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.53

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V014-2558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2558?
Check Price and Availability of V014-2558, 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 V014-2558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2558
  • 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 V014-2558 available by request