C784-3002 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~-(2-methoxyethyl)butanamide

C784-3002 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~-(2-methoxyethyl)butanamide
C784-3002 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~-(2-methoxyethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C784-3002
4-[2,5-dimethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2-methoxyethyl)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

C784-3002

Molecular Formula

C17H22N4O4 (C17 H22 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~-(2-methoxyethyl)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-(2-methoxyethyl)butanamide

SMILES

Cc1cc(n(c2c3)C(C)=NN(CCCC(NCCOC)=O)C2=O)c3o1

InChI

InChI=1S/C17H22N4O4/c1-11-9-13-15(25-11)10-14-17(23)20(19-12(2)21(13)14)7-4-5-16(22)18-6-8-24-3/h9-10H,4-8H2,1-3H3,(H,18,22)

InChI Key

FOGPTHIVKOYKTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

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

0.426

Distribution Coefficient, logD

0.419

Water Solubility, LogSw

-1.38

Polar Surface Area

70.267

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C784-3002 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C784-3002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C784-3002?
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What is the minimum amount of C784-3002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C784-3002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C784-3002
  • 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 C784-3002 available by request