V009-5898 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylpropanamide

V009-5898 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
V009-5898 Screening compound: N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5898
N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylpropanamide

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

V009-5898

Molecular Formula

C13H14FN3OS2 (C13 H14 FN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(Nc1nnc(SCc(cc2)ccc2F)s1)=O

InChI

InChI=1S/C13H14FN3OS2/c1-8(2)11(18)15-12-16-17-13(20-12)19-7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,16,18)

InChI Key

AECXKAALKZOVEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02033195

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

311.4

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

3.660

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-3.79

Polar Surface Area

46.236

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V009-5898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5898?
Check Price and Availability of V009-5898, 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 V009-5898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5898
  • 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 V009-5898 available by request