E961-1241 Screening compound: 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}-N-[(4-methoxyphenyl)methyl]acetamide

E961-1241 Screening compound: 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}-N-[(4-methoxyphenyl)methyl]acetamide
E961-1241 Screening compound: 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}-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E961-1241
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}-N-[(4-methoxyphenyl)methyl]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

E961-1241

Molecular Formula

C23H25N5O5 (C23 H25 N5 O5)

Compound Name

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}-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

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

SMILES

CCn1nc(C)c(N(CC(NCc(cc2)ccc2OC)=O)C(N2Cc3ccco3)=O)c1C2=O

InChI

InChI=1S/C23H25N5O5/c1-4-28-21-20(15(2)25-28)26(23(31)27(22(21)30)13-18-6-5-11-33-18)14-19(29)24-12-16-7-9-17(32-3)10-8-16/h5-11H,4,12-14H2,1-3H3,(H,24,29)

InChI Key

IQKDSHCZVLXNKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.734

Distribution Coefficient, logD

1.734

Water Solubility, LogSw

-2.19

Polar Surface Area

86.107

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with E961-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E961-1241?
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What is the minimum amount of E961-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E961-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E961-1241
  • 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 E961-1241 available by request