C858-1093 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-1093 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-1093 Screening compound: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1093
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-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

C858-1093

Molecular Formula

C27H41N5OS (C27 H41 N5 OS)

Compound Name

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(4-methylpiperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CC(CC1)CCN1c1nc(ccc(C(NCCCN(CC2)CCN2C2CCCCC2)=O)c2)c2s1

InChI

InChI=1S/C27H41N5OS/c1-21-10-14-32(15-11-21)27-29-24-9-8-22(20-25(24)34-27)26(33)28-12-5-13-30-16-18-31(19-17-30)23-6-3-2-4-7-23/h8-9,20-21,23H,2-7,10-19H2,1H3,(H,28,33)

InChI Key

CUPKRWFCOHXGKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.30

Polar Surface Area

44.557

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.40

C858-1093 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C858-1093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1093?
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What is the minimum amount of C858-1093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1093
  • 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 C858-1093 available by request