E961-0947 Screening compound: 2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(4-phenylbutan-2-yl)acetamide

E961-0947 Screening compound: 2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(4-phenylbutan-2-yl)acetamide
E961-0947 Screening compound: 2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-0947
2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(4-phenylbutan-2-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

E961-0947

Molecular Formula

C28H33N5O3 (C28 H33 N5 O3)

Compound Name

2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]-N-(4-phenylbutan-2-yl)acetamide

IUPAC name

2-[1-ethyl-3-methyl-57-dioxo-6-(2-phenylethyl)-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl]-N-(4-phenylbutan-2-yl)acetamide

SMILES

CCn1nc(C)c(N(CC(NC(C)CCc2ccccc2)=O)C(N2CCc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C28H33N5O3/c1-4-33-26-25(21(3)30-33)32(19-24(34)29-20(2)15-16-22-11-7-5-8-12-22)28(36)31(27(26)35)18-17-23-13-9-6-10-14-23/h5-14,20H,4,15-19H2,1-3H3,(H,29,34)/t20-/m0/s1

InChI Key

CEVPEDJKOKUGTO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27094765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

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

3.603

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.68

Polar Surface Area

70.234

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

E961-0947 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E961-0947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-0947?
Check Price and Availability of E961-0947, 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 E961-0947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-0947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-0947
  • 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 E961-0947 available by request