E960-1047 Screening compound: 2-({1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide

E960-1047 Screening compound: 2-({1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide
E960-1047 Screening compound: 2-({1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1047
2-({1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)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

E960-1047

Molecular Formula

C25H27N5O3S (C25 H27 N5 O3 S)

Compound Name

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

IUPAC name

2-({1-ethyl-6-[(2-methoxyphenyl)methyl]-3-methyl-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)-N-(3-methylphenyl)acetamide

SMILES

CCn1nc(C)c(N=C(N2Cc(cccc3)c3OC)SCC(Nc3cc(C)ccc3)=O)c1C2=O

InChI

InChI=1S/C25H27N5O3S/c1-5-30-23-22(17(3)28-30)27-25(34-15-21(31)26-19-11-8-9-16(2)13-19)29(24(23)32)14-18-10-6-7-12-20(18)33-4/h6-13H,5,14-15H2,1-4H3,(H,26,31)

InChI Key

IBFFZVOJCVDCJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.73

Polar Surface Area

68.218

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with E960-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1047?
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What is the minimum amount of E960-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1047
  • 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 E960-1047 available by request