5867-4111 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

5867-4111 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
5867-4111 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4111
2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]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

5867-4111

Molecular Formula

C17H17ClN4O2S2 (C17 H17 ClN4 O2 S2)

Compound Name

2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-{[5-(4-chlorophenyl)-[124]triazolo[34-b][13]thiazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide

SMILES

O=C(CSc1nnc2scc(-c(cc3)ccc3Cl)n12)NCC1OCCC1

InChI

InChI=1S/C17H17ClN4O2S2/c18-12-5-3-11(4-6-12)14-9-25-16-20-21-17(22(14)16)26-10-15(23)19-8-13-2-1-7-24-13/h3-6,9,13H,1-2,7-8,10H2,(H,19,23)/t13-/m1/s1

InChI Key

ISJDMCSXUAPYRX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03867243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.68

Polar Surface Area

54.911

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

5867-4111 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5867-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4111?
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What is the minimum amount of 5867-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4111
  • 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 5867-4111 available by request