E961-1102 Screening compound: 2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide

E961-1102 Screening compound: 2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide
E961-1102 Screening compound: 2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1102
2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)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

E961-1102

Molecular Formula

C24H24FN5O4 (C24 H24 FN5 O4)

Compound Name

2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide

IUPAC name

2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-57-dioxo-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}-N-(3-methoxyphenyl)acetamide

SMILES

CCn1nc(C)c(N(CC(Nc2cc(OC)ccc2)=O)C(N2Cc(cc3)ccc3F)=O)c1C2=O

InChI

InChI=1S/C24H24FN5O4/c1-4-30-22-21(15(2)27-30)28(14-20(31)26-18-6-5-7-19(12-18)34-3)24(33)29(23(22)32)13-16-8-10-17(25)11-9-16/h5-12H,4,13-14H2,1-3H3,(H,26,31)

InChI Key

PKWBYKPENFNICG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-3.14

Polar Surface Area

77.036

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E961-1102 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E961-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1102?
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What is the minimum amount of E961-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1102
  • 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 E961-1102 available by request