C795-2276 Screening compound: N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide

C795-2276 Screening compound: N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide
C795-2276 Screening compound: N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-2276
N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-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

C795-2276

Molecular Formula

C26H31N5O5S (C26 H31 N5 O5 S)

Compound Name

N-(2,4-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-3-yl}sulfanyl)acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-({5-oxo-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4-phenyl-2345-tetrahydro-124-triazin-3-yl}sulfanyl)acetamide

SMILES

COc(cc1)cc(OC)c1NC(CSC(NN=C1CCC(N2CCCC2)=O)N(c2ccccc2)C1=O)=O

InChI

InChI=1S/C26H31N5O5S/c1-35-19-10-11-20(22(16-19)36-2)27-23(32)17-37-26-29-28-21(12-13-24(33)30-14-6-7-15-30)25(34)31(26)18-8-4-3-5-9-18/h3-5,8-11,16,26,29H,6-7,12-15,17H2,1-2H3,(H,27,32)/t26-/m0/s1

InChI Key

ZFWNLJRQJKNPJW-SANMLTNESA-N

MDL Number (MFCD)

MFCD14797366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

2.424

Water Solubility, LogSw

-2.97

Polar Surface Area

91.725

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

C795-2276 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C795-2276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-2276?
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What is the minimum amount of C795-2276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-2276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-2276
  • 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 C795-2276 available by request