3627-0230 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}phenyl)acetamide

3627-0230 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}phenyl)acetamide
3627-0230 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3627-0230
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}phenyl)acetamide

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

3627-0230

Molecular Formula

C16H16N6O2S4 (C16 H16 N6 O2 S4)

Compound Name

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

IUPAC name

2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-N-(4-{2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]acetamido}phenyl)acetamide

SMILES

Cc1nnc(SCC(Nc(cc2)ccc2NC(CSc2nnc(C)s2)=O)=O)s1

InChI

InChI=1S/C16H16N6O2S4/c1-9-19-21-15(27-9)25-7-13(23)17-11-3-5-12(6-4-11)18-14(24)8-26-16-22-20-10(2)28-16/h3-6H,7-8H2,1-2H3,(H,17,23)(H,18,24)

InChI Key

MHJYZQPSGOMAPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01443311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.964

Distribution Coefficient, logD

1.964

Water Solubility, LogSw

-2.54

Polar Surface Area

91.337

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3627-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3627-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3627-0230
  • 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 3627-0230 available by request