8008-9422 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N~1~-(5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

8008-9422 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N~1~-(5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
8008-9422 Screening compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N~1~-(5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9422
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N~1~-(5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)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

8008-9422

Molecular Formula

C11H10N8O2S5 (C11 H10 N8 O2 S5)

Compound Name

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N~1~-(5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-[(5-amino-134-thiadiazol-2-yl)sulfanyl]-N-[5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]acetamide

SMILES

Nc1nnc(SCC(Nc2nnc(SCC(Nc3nccs3)=O)s2)=O)s1

InChI

InChI=1S/C11H10N8O2S5/c12-7-16-18-10(25-7)23-4-6(21)15-9-17-19-11(26-9)24-3-5(20)14-8-13-1-2-22-8/h1-2H,3-4H2,(H2,12,16)(H,13,14,20)(H,15,17,21)

InChI Key

IVXPUJXQQLTLLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

1.527

Water Solubility, LogSw

-2.17

Polar Surface Area

123.041

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8008-9422 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-9422 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-9422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9422
  • 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 8008-9422 available by request