E960-0895 Screening compound: N-(2-chlorophenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide

E960-0895 Screening compound: N-(2-chlorophenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
E960-0895 Screening compound: N-(2-chlorophenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-0895
N-(2-chlorophenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)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

E960-0895

Molecular Formula

C24H24ClN5O2S (C24 H24 ClN5 O2 S)

Compound Name

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

IUPAC name

N-(2-chlorophenyl)-2-({1-ethyl-3-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)acetamide

SMILES

CCn1nc(C)c(N=C(N2Cc3ccc(C)cc3)SCC(Nc(cccc3)c3Cl)=O)c1C2=O

InChI

InChI=1S/C24H24ClN5O2S/c1-4-30-22-21(16(3)28-30)27-24(29(23(22)32)13-17-11-9-15(2)10-12-17)33-14-20(31)26-19-8-6-5-7-18(19)25/h5-12H,4,13-14H2,1-3H3,(H,26,31)

InChI Key

RAFUZFULDOCMMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-3.83

Polar Surface Area

59.890

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E960-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-0895?
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What is the minimum amount of E960-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-0895
  • 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 E960-0895 available by request