8009-1365 Screening compound: methyl 4-{2-[(5-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate

8009-1365 Screening compound: methyl 4-{2-[(5-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate
8009-1365 Screening compound: methyl 4-{2-[(5-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1365
methyl 4-{2-[(5-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3,4-thiadiazol-2-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

8009-1365

Molecular Formula

C16H15N7O4S4 (C16 H15 N7 O4 S4)

Compound Name

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

IUPAC name

methyl 4-{2-[(5-{2-[(5-amino-134-thiadiazol-2-yl)sulfanyl]acetamido}-134-thiadiazol-2-yl)sulfanyl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CSc1nnc(NC(CSc2nnc(N)s2)=O)s1)=O)=O

InChI

InChI=1S/C16H15N7O4S4/c1-27-12(26)8-2-4-9(5-3-8)18-10(24)6-29-16-23-21-14(31-16)19-11(25)7-28-15-22-20-13(17)30-15/h2-5H,6-7H2,1H3,(H2,17,20)(H,18,24)(H,19,21,25)

InChI Key

HSJMYGUWRCWZCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-2.78

Polar Surface Area

133.737

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8009-1365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1365?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1365
  • 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 8009-1365 available by request