E856-0076 Screening compound: 4-({5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-propylbenzamide

E856-0076 Screening compound: 4-({5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-propylbenzamide
E856-0076 Screening compound: 4-({5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E856-0076
4-({5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-propylbenzamide

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

E856-0076

Molecular Formula

C17H20N4O2 (C17 H20 N4 O2)

Compound Name

4-({5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-propylbenzamide

IUPAC name

4-({5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}methyl)-N-propylbenzamide

SMILES

CCCNC(c1ccc(CN(c2ccnn2CC2)C2=O)cc1)=O

InChI

InChI=1S/C17H20N4O2/c1-2-9-18-17(23)14-5-3-13(4-6-14)12-20-15-7-10-19-21(15)11-8-16(20)22/h3-7,10H,2,8-9,11-12H2,1H3,(H,18,23)

InChI Key

LXDPPVHJZOAIEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-2.19

Polar Surface Area

52.953

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

E856-0076 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E856-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E856-0076?
Check Price and Availability of E856-0076, 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 E856-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E856-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E856-0076
  • 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 E856-0076 available by request