E856-2161 Screening compound: 4-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

E856-2161 Screening compound: 4-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
E856-2161 Screening compound: 4-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E856-2161
4-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

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

E856-2161

Molecular Formula

C27H31N5O2 (C27 H31 N5 O2)

Compound Name

4-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one

IUPAC name

4-({4-[4-(23-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-methyl-4H5H6H7H-pyrazolo[15-a]pyrimidin-5-one

SMILES

Cc1nn(CCC(N2Cc(cc3)ccc3C(N(CC3)CCN3c3c(C)c(C)ccc3)=O)=O)c2c1

InChI

InChI=1S/C27H31N5O2/c1-19-5-4-6-24(21(19)3)29-13-15-30(16-14-29)27(34)23-9-7-22(8-10-23)18-31-25-17-20(2)28-32(25)12-11-26(31)33/h4-10,17H,11-16,18H2,1-3H3

InChI Key

SQXDUNLGKDUQHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.64

Polar Surface Area

47.706

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

E856-2161 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E856-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E856-2161?
Check Price and Availability of E856-2161, 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 E856-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E856-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E856-2161
  • 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 E856-2161 available by request