V010-4469 Screening compound: N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide

V010-4469 Screening compound: N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
V010-4469 Screening compound: N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4469
N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide

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

V010-4469

Molecular Formula

C14H14F3N3OS2 (C14 H14 F3 N3 OS2)

Compound Name

N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide

IUPAC name

N-[5-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-134-thiadiazol-2-yl]butanamide

SMILES

CCCC(Nc1nnc(SCc2c(C(F)(F)F)cccc2)s1)=O

InChI

InChI=1S/C14H14F3N3OS2/c1-2-5-11(21)18-12-19-20-13(23-12)22-8-9-6-3-4-7-10(9)14(15,16)17/h3-4,6-7H,2,5,8H2,1H3,(H,18,19,21)

InChI Key

LLAFANHDUCJWPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-4.42

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with V010-4469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4469?
Check Price and Availability of V010-4469, 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 V010-4469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4469
  • 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 V010-4469 available by request