8016-7957 Screening compound: methyl 3-(benzylsulfanyl)-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)propanoate

8016-7957 Screening compound: methyl 3-(benzylsulfanyl)-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)propanoate
8016-7957 Screening compound: methyl 3-(benzylsulfanyl)-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7957
methyl 3-(benzylsulfanyl)-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)propanoate

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

8016-7957

Molecular Formula

C16H19N3O3S4 (C16 H19 N3 O3 S4)

Compound Name

methyl 3-(benzylsulfanyl)-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)propanoate

IUPAC name

methyl 3-(benzylsulfanyl)-2-(2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetamido)propanoate

SMILES

COC(C(CSCc1ccccc1)NC(CSc1nc(SC)ns1)=O)=O

InChI

InChI=1S/C16H19N3O3S4/c1-22-14(21)12(9-24-8-11-6-4-3-5-7-11)17-13(20)10-25-16-18-15(23-2)19-26-16/h3-7,12H,8-10H2,1-2H3,(H,17,20)/t12-/m0/s1

InChI Key

VJADKVKHDCSAMN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05859263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.64

Polar Surface Area

64.144

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8016-7957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7957?
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What is the minimum amount of 8016-7957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7957
  • 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 8016-7957 available by request