E960-1346 Screening compound: N-(2,5-dimethylphenyl)-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide

E960-1346 Screening compound: N-(2,5-dimethylphenyl)-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
E960-1346 Screening compound: N-(2,5-dimethylphenyl)-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1346
N-(2,5-dimethylphenyl)-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-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

E960-1346

Molecular Formula

C23H25N5O2S2 (C23 H25 N5 O2 S2)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)acetamide

SMILES

CCn1nc(C)c(N=C(N2Cc3cccs3)SCC(Nc3c(C)ccc(C)c3)=O)c1C2=O

InChI

InChI=1S/C23H25N5O2S2/c1-5-28-21-20(16(4)26-28)25-23(27(22(21)30)12-17-7-6-10-31-17)32-13-19(29)24-18-11-14(2)8-9-15(18)3/h6-11H,5,12-13H2,1-4H3,(H,24,29)

InChI Key

RVVBSTGADNJJOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.62

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

2.951

Distribution Coefficient, logD

2.951

Water Solubility, LogSw

-3.06

Polar Surface Area

60.908

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E960-1346 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E960-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1346?
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What is the minimum amount of E960-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1346
  • 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 E960-1346 available by request