6197-5890 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide

6197-5890 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[7-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]acetamide
6197-5890 Screening compound: N~1~-(3-chloro-2-methylphenyl)-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 6197-5890
N~1~-(3-chloro-2-methylphenyl)-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

6197-5890

Molecular Formula

C19H19ClN4O2S (C19 H19 ClN4 O2 S)

Compound Name

N~1~-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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(Nc1cccc(Cl)c1C)=O)N=N1)=O)c1s2

InChI

InChI=1S/C19H19ClN4O2S/c1-10-6-7-12-15(8-10)27-18-17(12)19(26)24(23-22-18)9-16(25)21-14-5-3-4-13(20)11(14)2/h3-5,10H,6-9H2,1-2H3,(H,21,25)/t10-/m1/s1

InChI Key

HIBHXOARFYVVAN-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD04066139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

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

4.776

Distribution Coefficient, logD

4.775

Water Solubility, LogSw

-4.93

Polar Surface Area

63.207

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 6197-5890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6197-5890?
Check Price and Availability of 6197-5890, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6197-5890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6197-5890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6197-5890
  • 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 6197-5890 available by request