E961-1161 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide

E961-1161 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
E961-1161 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1161
N-[2-(4-chlorophenyl)ethyl]-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-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

E961-1161

Molecular Formula

C25H25ClFN5O3 (C25 H25 ClFN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(N(CC(NCCc(cc2)ccc2Cl)=O)C(N2Cc(cc3)ccc3F)=O)c1C2=O

InChI

InChI=1S/C25H25ClFN5O3/c1-3-32-23-22(16(2)29-32)30(15-21(33)28-13-12-17-4-8-19(26)9-5-17)25(35)31(24(23)34)14-18-6-10-20(27)11-7-18/h4-11H,3,12-15H2,1-2H3,(H,28,33)

InChI Key

VEQDOQYXALUPET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.49

Polar Surface Area

70.656

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with E961-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1161?
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What is the minimum amount of E961-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1161
  • 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 E961-1161 available by request