6197-5947 Screening compound: N~1~-(4-chlorophenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide

6197-5947 Screening compound: N~1~-(4-chlorophenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide
6197-5947 Screening compound: N~1~-(4-chlorophenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6197-5947
N~1~-(4-chlorophenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-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

6197-5947

Molecular Formula

C17H15ClN4O2S (C17 H15 ClN4 O2 S)

Compound Name

N~1~-(4-chlorophenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide

IUPAC name

N-(4-chlorophenyl)-2-{3-oxo-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamide

SMILES

O=C(CN1N=Nc(sc2c3CCCC2)c3C1=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C17H15ClN4O2S/c18-10-5-7-11(8-6-10)19-14(23)9-22-17(24)15-12-3-1-2-4-13(12)25-16(15)20-21-22/h5-8H,1-4,9H2,(H,19,23)

InChI Key

SYLDNFIDWOEVEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04066149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.94

Polar Surface Area

63.905

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 6197-5947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5947?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5947
  • 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 6197-5947 available by request