E961-0974 Screening compound: methyl 3-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}thiophene-2-carboxylate

E961-0974 Screening compound: methyl 3-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}thiophene-2-carboxylate
E961-0974 Screening compound: methyl 3-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-0974
methyl 3-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}thiophene-2-carboxylate

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

E961-0974

Molecular Formula

C24H25N5O5S (C24 H25 N5 O5 S)

Compound Name

methyl 3-{2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamido}thiophene-2-carboxylate

IUPAC name

methyl 3-{2-[1-ethyl-3-methyl-57-dioxo-6-(2-phenylethyl)-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl]acetamido}thiophene-2-carboxylate

SMILES

CCn1nc(C)c(N(CC(Nc2c(C(OC)=O)scc2)=O)C(N2CCc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C24H25N5O5S/c1-4-29-20-19(15(2)26-29)28(14-18(30)25-17-11-13-35-21(17)23(32)34-3)24(33)27(22(20)31)12-10-16-8-6-5-7-9-16/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,25,30)

InChI Key

CPYJDJFDKXMPCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.493

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-2.73

Polar Surface Area

90.965

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E961-0974 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E961-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-0974?
Check Price and Availability of E961-0974, 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 E961-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-0974
  • 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 E961-0974 available by request