D243-0463 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]propanamide

D243-0463 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]propanamide
D243-0463 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D243-0463
N~1~-(3-chloro-2-methylphenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]propanamide

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

D243-0463

Molecular Formula

C19H19ClN4O2S (C19 H19 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1cccc(Cl)c1C)=O)N1N=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C19H19ClN4O2S/c1-10-13(20)7-5-8-14(10)21-17(25)11(2)24-19(26)16-12-6-3-4-9-15(12)27-18(16)22-23-24/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,21,25)/t11-/m0/s1

InChI Key

ACKOCESFEOHEGF-NSHDSACASA-N

MDL Number (MFCD)

MFCD08143460

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

5.045

Distribution Coefficient, logD

5.045

Water Solubility, LogSw

-5.36

Polar Surface Area

61.954

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with D243-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0463?
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What is the minimum amount of D243-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0463
  • 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 D243-0463 available by request