D243-0476 Screening compound: N~1~-(4-fluorophenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]propanamide

D243-0476 Screening compound: N~1~-(4-fluorophenyl)-2-[4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl]propanamide
D243-0476 Screening compound: N~1~-(4-fluorophenyl)-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 D243-0476
N~1~-(4-fluorophenyl)-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

D243-0476

Molecular Formula

C18H17FN4O2S (C18 H17 FN4 O2 S)

Compound Name

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

IUPAC name

N-(4-fluorophenyl)-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(Nc(cc1)ccc1F)=O)N1N=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C18H17FN4O2S/c1-10(16(24)20-12-8-6-11(19)7-9-12)23-18(25)15-13-4-2-3-5-14(13)26-17(15)21-22-23/h6-10H,2-5H2,1H3,(H,20,24)/t10-/m0/s1

InChI Key

SXLOMJHFDNCNDS-JTQLQIEISA-N

MDL Number (MFCD)

MFCD08143470

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

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.26

Polar Surface Area

62.652

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D243-0476 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D243-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D243-0476?
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What is the minimum amount of D243-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D243-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D243-0476
  • 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 D243-0476 available by request