E960-1085 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide

E960-1085 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
E960-1085 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1085
2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3,4-dimethylphenyl)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

E960-1085

Molecular Formula

C25H26ClN5O2S (C25 H26 ClN5 O2 S)

Compound Name

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

IUPAC name

2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)-N-(34-dimethylphenyl)acetamide

SMILES

CCn1nc(C)c(N=C(N2Cc(cccc3)c3Cl)SCC(Nc3cc(C)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C25H26ClN5O2S/c1-5-31-23-22(17(4)29-31)28-25(30(24(23)33)13-18-8-6-7-9-20(18)26)34-14-21(32)27-19-11-10-15(2)16(3)12-19/h6-12H,5,13-14H2,1-4H3,(H,27,32)

InChI Key

IRDWCLDOMHJLGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.03

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

4.725

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.78

Polar Surface Area

60.587

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with E960-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1085?
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What is the minimum amount of E960-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1085
  • 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 E960-1085 available by request