4112-4234 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide

4112-4234 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide
4112-4234 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-4234
N~1~-(3-chloro-4-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)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

4112-4234

Molecular Formula

C16H10ClFN4OS2 (C16 H10 ClFN4 OS2)

Compound Name

N~1~-(3-chloro-4-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}acetamide

SMILES

O=C(CSc1nnc2sc(cccc3)c3n12)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C16H10ClFN4OS2/c17-10-7-9(5-6-11(10)18)19-14(23)8-24-15-20-21-16-22(15)12-3-1-2-4-13(12)25-16/h1-7H,8H2,(H,19,23)

InChI Key

ZTPHOMHYRPRCBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.44

Polar Surface Area

45.456

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4112-4234 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 4112-4234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-4234?
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What is the minimum amount of 4112-4234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-4234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-4234
  • 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 4112-4234 available by request