C784-2969 Screening compound: 4-[2,5-dimethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-methoxybenzyl)butanamide

C784-2969 Screening compound: 4-[2,5-dimethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-methoxybenzyl)butanamide
C784-2969 Screening compound: 4-[2,5-dimethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-methoxybenzyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C784-2969
4-[2,5-dimethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-methoxybenzyl)butanamide

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

C784-2969

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

4-[2,5-dimethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-methoxybenzyl)butanamide

IUPAC name

4-{412-dimethyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-[(4-methoxyphenyl)methyl]butanamide

SMILES

Cc1cc(n(c2c3)C(C)=NN(CCCC(NCc(cc4)ccc4OC)=O)C2=O)c3o1

InChI

InChI=1S/C22H24N4O4/c1-14-11-18-20(30-14)12-19-22(28)25(24-15(2)26(18)19)10-4-5-21(27)23-13-16-6-8-17(29-3)9-7-16/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,27)

InChI Key

LBAGMCPFZCNKHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.074

Distribution Coefficient, logD

2.068

Water Solubility, LogSw

-2.71

Polar Surface Area

69.356

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C784-2969 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C784-2969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C784-2969?
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What is the minimum amount of C784-2969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C784-2969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C784-2969
  • 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 C784-2969 available by request