7617-0146 Screening compound: methyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate

7617-0146 Screening compound: methyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate
7617-0146 Screening compound: methyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7617-0146
methyl 4-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate

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

7617-0146

Molecular Formula

C13H13N3O3S3 (C13 H13 N3 O3 S3)

Compound Name

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

IUPAC name

methyl 4-(2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nc(SC)ns1)=O)=O

InChI

InChI=1S/C13H13N3O3S3/c1-19-11(18)8-3-5-9(6-4-8)14-10(17)7-21-13-15-12(20-2)16-22-13/h3-6H,7H2,1-2H3,(H,14,17)

InChI Key

NYFIBMGXJKBVCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02147625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.75

Polar Surface Area

63.191

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 7617-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7617-0146?
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What is the minimum amount of 7617-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7617-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7617-0146
  • 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 7617-0146 available by request