V010-3196 Screening compound: 3,3-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide

V010-3196 Screening compound: 3,3-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
V010-3196 Screening compound: 3,3-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3196
3,3-dimethyl-N-(5-{[(3-methylphenyl)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

V010-3196

Molecular Formula

C16H21N3OS2 (C16 H21 N3 OS2)

Compound Name

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

IUPAC name

33-dimethyl-N-(5-{[(3-methylphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)butanamide

SMILES

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

InChI

InChI=1S/C16H21N3OS2/c1-11-6-5-7-12(8-11)10-21-15-19-18-14(22-15)17-13(20)9-16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,18,20)

InChI Key

PKFXMXSQQXKIPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-5.19

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with V010-3196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3196?
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What is the minimum amount of V010-3196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3196
  • 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 V010-3196 available by request