C785-4406 Screening compound: 4-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylbutanamide

C785-4406 Screening compound: 4-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylbutanamide
C785-4406 Screening compound: 4-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-4406
4-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylbutanamide

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

C785-4406

Molecular Formula

C24H28N4O2S (C24 H28 N4 O2 S)

Compound Name

4-[2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylbutanamide

IUPAC name

4-{412-diethyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-(2-phenylethyl)butanamide

SMILES

CCc1cc(n(c2c3)C(CC)=NN(CCCC(NCCc4ccccc4)=O)C2=O)c3s1

InChI

InChI=1S/C24H28N4O2S/c1-3-18-15-19-21(31-18)16-20-24(30)27(26-22(4-2)28(19)20)14-8-11-23(29)25-13-12-17-9-6-5-7-10-17/h5-7,9-10,15-16H,3-4,8,11-14H2,1-2H3,(H,25,29)

InChI Key

MIHCUYCWFRREHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.35

Polar Surface Area

55.777

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C785-4406 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with C785-4406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-4406?
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What is the minimum amount of C785-4406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-4406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-4406
  • 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 C785-4406 available by request