C784-3161 Screening compound: 5-ethyl-2-methyl-7-[4-(4-methylpiperidino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C784-3161 Screening compound: 5-ethyl-2-methyl-7-[4-(4-methylpiperidino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C784-3161 Screening compound: 5-ethyl-2-methyl-7-[4-(4-methylpiperidino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C784-3161
5-ethyl-2-methyl-7-[4-(4-methylpiperidino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-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

C784-3161

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

5-ethyl-2-methyl-7-[4-(4-methylpiperidino)-4-oxobutyl]furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

12-ethyl-4-methyl-10-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCC(n1c2cc3c1cc(C)o3)=NN(CCCC(N1CCC(C)CC1)=O)C2=O

InChI

InChI=1S/C21H28N4O3/c1-4-19-22-24(9-5-6-20(26)23-10-7-14(2)8-11-23)21(27)17-13-18-16(25(17)19)12-15(3)28-18/h12-14H,4-11H2,1-3H3

InChI Key

HRBXNVKEUZAPPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.464

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.40

Polar Surface Area

54.824

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

C784-3161 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C784-3161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C784-3161?
Check Price and Availability of C784-3161, 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 C784-3161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C784-3161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C784-3161
  • 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 C784-3161 available by request