C798-0899 Screening compound: N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(morpholin-4-yl)thiophene-2-carboxamide

C798-0899 Screening compound: N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(morpholin-4-yl)thiophene-2-carboxamide
C798-0899 Screening compound: N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(morpholin-4-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0899
N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(morpholin-4-yl)thiophene-2-carboxamide

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

C798-0899

Molecular Formula

C22H26N4O2S (C22 H26 N4 O2 S)

Compound Name

N-benzyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(morpholin-4-yl)thiophene-2-carboxamide

IUPAC name

N-benzyl-4-[(35-dimethyl-1H-pyrazol-4-yl)methyl]-5-(morpholin-4-yl)thiophene-2-carboxamide

SMILES

Cc1c(Cc2c(N3CCOCC3)sc(C(NCc3ccccc3)=O)c2)c(C)n[nH]1

InChI

InChI=1S/C22H26N4O2S/c1-15-19(16(2)25-24-15)12-18-13-20(29-22(18)26-8-10-28-11-9-26)21(27)23-14-17-6-4-3-5-7-17/h3-7,13H,8-12,14H2,1-2H3,(H,23,27)(H,24,25)

InChI Key

JDAXHHYAQWUVAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.439

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.82

Polar Surface Area

60.725

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C798-0899 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0899?
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What is the minimum amount of C798-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0899
  • 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 C798-0899 available by request