V002-7409 Screening compound: N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide

V002-7409 Screening compound: N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide
V002-7409 Screening compound: N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7409
N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide

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

V002-7409

Molecular Formula

C18H24FN3OS2 (C18 H24 FN3 OS2)

Compound Name

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

IUPAC name

N-(5-{[(3-fluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-355-trimethylhexanamide

SMILES

CC(CC(C)(C)C)CC(Nc1nnc(SCc2cc(F)ccc2)s1)=O

InChI

InChI=1S/C18H24FN3OS2/c1-12(10-18(2,3)4)8-15(23)20-16-21-22-17(25-16)24-11-13-6-5-7-14(19)9-13/h5-7,9,12H,8,10-11H2,1-4H3,(H,20,21,23)/t12-/m1/s1

InChI Key

AJVIJHDYHJDQKY-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD19857455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

5.778

Water Solubility, LogSw

-5.45

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V002-7409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7409?
Check Price and Availability of V002-7409, 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 V002-7409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7409
  • 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 V002-7409 available by request