E943-0176 Screening compound: N~1~-(1-benzyl-4-piperidyl)-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide

E943-0176 Screening compound: N~1~-(1-benzyl-4-piperidyl)-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide
E943-0176 Screening compound: N~1~-(1-benzyl-4-piperidyl)-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E943-0176
N~1~-(1-benzyl-4-piperidyl)-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide

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

E943-0176

Molecular Formula

C20H23N5O3 (C20 H23 N5 O3)

Compound Name

N~1~-(1-benzyl-4-piperidyl)-2-[3-methyl-4-oxoisoxazolo[5,4-d]pyrimidin-5(4H)-yl]acetamide

IUPAC name

n/a

SMILES

Cc1noc(N=CN2CC(NC3CCN(Cc4ccccc4)CC3)=O)c1C2=O

InChI

InChI=1S/C20H23N5O3/c1-14-18-19(28-23-14)21-13-25(20(18)27)12-17(26)22-16-7-9-24(10-8-16)11-15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,22,26)

InChI Key

ZMQGBAXHNMMABN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.636

Distribution Coefficient, logD

-0.922

Water Solubility, LogSw

-1.89

Polar Surface Area

75.517

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E943-0176 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E943-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E943-0176?
Check Price and Availability of E943-0176, 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 E943-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E943-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E943-0176
  • 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 E943-0176 available by request