3254-3047 Screening compound: 4-[(1E)-1-[(2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate

3254-3047 Screening compound: 4-[(1E)-1-[(2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate
3254-3047 Screening compound: 4-[(1E)-1-[(2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-3047
4-[(1E)-1-[(2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate

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

3254-3047

Molecular Formula

C21H20N4O3S3 (C21 H20 N4 O3 S3)

Compound Name

4-[(1E)-1-[(2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate

IUPAC name

4-[(1E)-1-[(2-{[5-(benzylsulfanyl)-134-thiadiazol-2-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate

SMILES

C/C(/c(cc1)ccc1OC(C)=O)=N\NC(CSc1nnc(SCc2ccccc2)s1)=O

InChI

InChI=1S/C21H20N4O3S3/c1-14(17-8-10-18(11-9-17)28-15(2)26)22-23-19(27)13-30-21-25-24-20(31-21)29-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,23,27)

InChI Key

HJLVBPRRLAADHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02075709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.915

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-4.06

Polar Surface Area

77.334

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 3254-3047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-3047?
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What is the minimum amount of 3254-3047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-3047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-3047
  • 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 3254-3047 available by request