V030-3368 Screening compound: 3,5,5-trimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide

V030-3368 Screening compound: 3,5,5-trimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
V030-3368 Screening compound: 3,5,5-trimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3368
3,5,5-trimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide

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

V030-3368

Molecular Formula

C20H27N3O2S2 (C20 H27 N3 O2 S2)

Compound Name

3,5,5-trimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide

IUPAC name

355-trimethyl-N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)hexanamide

SMILES

CC(CC(C)(C)C)CC(Nc1nnc(SCC(c2ccc(C)cc2)=O)s1)=O

InChI

InChI=1S/C20H27N3O2S2/c1-13-6-8-15(9-7-13)16(24)12-26-19-23-22-18(27-19)21-17(25)10-14(2)11-20(3,4)5/h6-9,14H,10-12H2,1-5H3,(H,21,22,25)/t14-/m1/s1

InChI Key

LQICZXZKCUOGDJ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD19857477

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

405.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.608

Distribution Coefficient, logD

5.604

Water Solubility, LogSw

-5.35

Polar Surface Area

59.269

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V030-3368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3368?
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What is the minimum amount of V030-3368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3368
  • 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 V030-3368 available by request