E960-1164 Screening compound: 2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide

E960-1164 Screening compound: 2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide
E960-1164 Screening compound: 2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E960-1164
2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluoro-4-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

E960-1164

Molecular Formula

C24H23F2N5O2S (C24 H23 F2 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(N=C(N2Cc(cc3)ccc3F)SCC(Nc3cc(F)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C24H23F2N5O2S/c1-4-31-22-21(15(3)29-31)28-24(30(23(22)33)12-16-6-8-17(25)9-7-16)34-13-20(32)27-18-10-5-14(2)19(26)11-18/h5-11H,4,12-13H2,1-3H3,(H,27,32)

InChI Key

WHKZIQXMLZRDSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27094508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.54

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

3.933

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-3.91

Polar Surface Area

60.587

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E960-1164 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E960-1164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E960-1164?
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What is the minimum amount of E960-1164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E960-1164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E960-1164
  • 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 E960-1164 available by request