C798-0901 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(morpholin-4-yl)thiophene-2-carboxamide

C798-0901 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-(morpholin-4-yl)thiophene-2-carboxamide
C798-0901 Screening compound: N-[2-(4-chlorophenyl)ethyl]-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 C798-0901
N-[2-(4-chlorophenyl)ethyl]-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

C798-0901

Molecular Formula

C23H27ClN4O2S (C23 H27 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc2c(N3CCOCC3)sc(C(NCCc(cc3)ccc3Cl)=O)c2)c(C)n[nH]1

InChI

InChI=1S/C23H27ClN4O2S/c1-15-20(16(2)27-26-15)13-18-14-21(31-23(18)28-9-11-30-12-10-28)22(29)25-8-7-17-3-5-19(24)6-4-17/h3-6,14H,7-13H2,1-2H3,(H,25,29)(H,26,27)

InChI Key

ZFJWOSHQSIRVMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.47

Polar Surface Area

60.567

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C798-0901 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

BRD4 Targeted Library (4534 compounds)

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

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Kinases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0901?
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What is the minimum amount of C798-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0901
  • 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 C798-0901 available by request