G789-0336 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

G789-0336 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
G789-0336 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G789-0336
N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-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

G789-0336

Molecular Formula

C26H27ClN4OS (C26 H27 ClN4 OS)

Compound Name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

IUPAC name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-methyl-1-phenyl-1H-thieno[23-c]pyrazole-5-carboxamide

SMILES

Cc(c1c2sc(C(NCC3CCN(Cc4cccc(Cl)c4)CC3)=O)c1)nn2-c1ccccc1

InChI

InChI=1S/C26H27ClN4OS/c1-18-23-15-24(33-26(23)31(29-18)22-8-3-2-4-9-22)25(32)28-16-19-10-12-30(13-11-19)17-20-6-5-7-21(27)14-20/h2-9,14-15,19H,10-13,16-17H2,1H3,(H,28,32)

InChI Key

VLVPMGXXOMUAIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-5.59

Polar Surface Area

43.159

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G789-0336 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G789-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G789-0336?
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What is the minimum amount of G789-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G789-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G789-0336
  • 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 G789-0336 available by request