E960-1145 Screening compound: N-[(2-chlorophenyl)methyl]-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide

E960-1145 Screening compound: N-[(2-chlorophenyl)methyl]-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
E960-1145 Screening compound: N-[(2-chlorophenyl)methyl]-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1145
N-[(2-chlorophenyl)methyl]-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-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

E960-1145

Molecular Formula

C24H23ClFN5O2S (C24 H23 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(N=C(N2Cc(cc3)ccc3F)SCC(NCc(cccc3)c3Cl)=O)c1C2=O

InChI

InChI=1S/C24H23ClFN5O2S/c1-3-31-22-21(15(2)29-31)28-24(30(23(22)33)13-16-8-10-18(26)11-9-16)34-14-20(32)27-12-17-6-4-5-7-19(17)25/h4-11H,3,12-14H2,1-2H3,(H,27,32)

InChI Key

PVNZQWSRJXVAHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-3.96

Polar Surface Area

61.909

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E960-1145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1145?
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What is the minimum amount of E960-1145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1145
  • 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 E960-1145 available by request