E961-1254 Screening compound: N-(3-chloro-4-methylphenyl)-2-{1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide

E961-1254 Screening compound: N-(3-chloro-4-methylphenyl)-2-{1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
E961-1254 Screening compound: N-(3-chloro-4-methylphenyl)-2-{1-ethyl-6-[(furan-2-yl)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 E961-1254
N-(3-chloro-4-methylphenyl)-2-{1-ethyl-6-[(furan-2-yl)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

E961-1254

Molecular Formula

C22H22ClN5O4 (C22 H22 ClN5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(N(CC(Nc2cc(Cl)c(C)cc2)=O)C(N2Cc3ccco3)=O)c1C2=O

InChI

InChI=1S/C22H22ClN5O4/c1-4-28-20-19(14(3)25-28)26(12-18(29)24-15-8-7-13(2)17(23)10-15)22(31)27(21(20)30)11-16-6-5-9-32-16/h5-10H,4,11-12H2,1-3H3,(H,24,29)

InChI Key

ICOOVTCJDQPTIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.72

Polar Surface Area

77.241

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with E961-1254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1254?
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What is the minimum amount of E961-1254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1254
  • 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 E961-1254 available by request