E856-2001 Screening compound: 4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide

E856-2001 Screening compound: 4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
E856-2001 Screening compound: 4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E856-2001
4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide

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

E856-2001

Molecular Formula

C20H24N4O3 (C20 H24 N4 O3)

Compound Name

4-({2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-4-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

4-({2-methyl-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidin-4-yl}methyl)-N-[(oxolan-2-yl)methyl]benzamide

SMILES

Cc1nn(CCC(N2Cc(cc3)ccc3C(NCC3OCCC3)=O)=O)c2c1

InChI

InChI=1S/C20H24N4O3/c1-14-11-18-23(19(25)8-9-24(18)22-14)13-15-4-6-16(7-5-15)20(26)21-12-17-3-2-10-27-17/h4-7,11,17H,2-3,8-10,12-13H2,1H3,(H,21,26)/t17-/m1/s1

InChI Key

VZXWSRISPYUFRF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14923366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.959

Distribution Coefficient, logD

0.959

Water Solubility, LogSw

-2.10

Polar Surface Area

61.166

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

E856-2001 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E856-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E856-2001?
Check Price and Availability of E856-2001, 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 E856-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E856-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E856-2001
  • 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 E856-2001 available by request