D148-0440 Screening compound: 3-benzyl-9-(2-furyl)-7-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

D148-0440 Screening compound: 3-benzyl-9-(2-furyl)-7-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
D148-0440 Screening compound: 3-benzyl-9-(2-furyl)-7-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D148-0440
3-benzyl-9-(2-furyl)-7-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

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

D148-0440

Molecular Formula

C25H16N4O2S (C25 H16 N4 O2 S)

Compound Name

3-benzyl-9-(2-furyl)-7-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

IUPAC name

5-benzyl-13-(furan-2-yl)-11-phenyl-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-6-one

SMILES

O=C1N(Cc2ccccc2)N=Nc2c1sc1nc(-c3ccccc3)cc(-c3ccco3)c12

InChI

InChI=1S/C25H16N4O2S/c30-25-23-22(27-28-29(25)15-16-8-3-1-4-9-16)21-18(20-12-7-13-31-20)14-19(26-24(21)32-23)17-10-5-2-6-11-17/h1-14H,15H2

InChI Key

YMPTUAWOCWXJRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-6.27

Polar Surface Area

56.436

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

D148-0440 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D148-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-0440?
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What is the minimum amount of D148-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-0440
  • 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 D148-0440 available by request