C795-0652 Screening compound: N-[3-(diethylamino)propyl]-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C795-0652 Screening compound: N-[3-(diethylamino)propyl]-4-[8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C795-0652 Screening compound: N-[3-(diethylamino)propyl]-4-[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 C795-0652
N-[3-(diethylamino)propyl]-4-[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

C795-0652

Molecular Formula

C19H27N5O3 (C19 H27 N5 O3)

Compound Name

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

IUPAC name

N-[3-(diethylamino)propyl]-4-{9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanamide

SMILES

CCN(CC)CCCNC(CCCN(C1=O)N=Cn2c1cc1c2cco1)=O

InChI

InChI=1S/C19H27N5O3/c1-3-22(4-2)10-6-9-20-18(25)7-5-11-24-19(26)16-13-17-15(8-12-27-17)23(16)14-21-24/h8,12-14H,3-7,9-11H2,1-2H3,(H,20,25)

InChI Key

HZJGPOSYEVHFHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.076

Distribution Coefficient, logD

-2.703

Water Solubility, LogSw

-1.92

Polar Surface Area

66.130

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

C795-0652 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C795-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0652?
Check Price and Availability of C795-0652, 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 C795-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0652
  • 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 C795-0652 available by request