G789-1022 Screening compound: 1-(4-chlorophenyl)-N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

G789-1022 Screening compound: 1-(4-chlorophenyl)-N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
G789-1022 Screening compound: 1-(4-chlorophenyl)-N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G789-1022
1-(4-chlorophenyl)-N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-3-methyl-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

G789-1022

Molecular Formula

C26H28ClN5OS (C26 H28 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(Cc(cc2)ccc2NC(c2cc(c(C)nn3-c(cc4)ccc4Cl)c3s2)=O)CC1

InChI

InChI=1S/C26H28ClN5OS/c1-3-30-12-14-31(15-13-30)17-19-4-8-21(9-5-19)28-25(33)24-16-23-18(2)29-32(26(23)34-24)22-10-6-20(27)7-11-22/h4-11,16H,3,12-15,17H2,1-2H3,(H,28,33)

InChI Key

JVUMYAHIIMHOIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.661

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-4.70

Polar Surface Area

45.373

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G789-1022 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G789-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G789-1022?
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What is the minimum amount of G789-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G789-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G789-1022
  • 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 G789-1022 available by request