6291-0847 Screening compound: N~1~-(4-fluorophenyl)-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide

6291-0847 Screening compound: N~1~-(4-fluorophenyl)-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide
6291-0847 Screening compound: N~1~-(4-fluorophenyl)-2-[7-methyl-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 6291-0847
N~1~-(4-fluorophenyl)-2-[7-methyl-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

6291-0847

Molecular Formula

C18H17FN4O2S (C18 H17 FN4 O2 S)

Compound Name

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

IUPAC name

N-(4-fluorophenyl)-2-{11-methyl-3-oxo-8-thia-456-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}acetamide

SMILES

CC(CC1)Cc2c1c(C(N(CC(Nc(cc1)ccc1F)=O)N=N1)=O)c1s2

InChI

InChI=1S/C18H17FN4O2S/c1-10-2-7-13-14(8-10)26-17-16(13)18(25)23(22-21-17)9-15(24)20-12-5-3-11(19)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,20,24)/t10-/m1/s1

InChI Key

DKNHNYFBBOEAPW-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03622464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

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

3.997

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-4.31

Polar Surface Area

63.905

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6291-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6291-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6291-0847
  • 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 6291-0847 available by request