C795-0647 Screening compound: N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C795-0647 Screening compound: N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C795-0647 Screening compound: N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0647
N~1~-[3-(3,5-dimethylpiperidino)propyl]-2-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]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

C795-0647

Molecular Formula

C22H31N5O3 (C22 H31 N5 O3)

Compound Name

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

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-2-{9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CCC(C(NCCCN1CC(C)CC(C)C1)=O)N(C1=O)N=Cn2c1cc1c2cco1

InChI

InChI=1S/C22H31N5O3/c1-4-17(21(28)23-7-5-8-25-12-15(2)10-16(3)13-25)27-22(29)19-11-20-18(6-9-30-20)26(19)14-24-27/h6,9,11,14-17H,4-5,7-8,10,12-13H2,1-3H3,(H,23,28)

InChI Key

XYZIQXAOCVCUHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

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

2.370

Distribution Coefficient, logD

-0.235

Water Solubility, LogSw

-2.87

Polar Surface Area

64.649

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

59.10

C795-0647 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-0647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0647?
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What is the minimum amount of C795-0647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0647
  • 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 C795-0647 available by request