C782-1523 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C782-1523 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
C782-1523 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-1523
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-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

C782-1523

Molecular Formula

C23H31N3OS (C23 H31 N3 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(46-dimethyl-13-benzothiazol-2-yl)piperidine-3-carboxamide

SMILES

Cc(cc1C)cc2c1nc(N(CCC1)CC1C(NCCC1=CCCCC1)=O)s2

InChI

InChI=1S/C23H31N3OS/c1-16-13-17(2)21-20(14-16)28-23(25-21)26-12-6-9-19(15-26)22(27)24-11-10-18-7-4-3-5-8-18/h7,13-14,19H,3-6,8-12,15H2,1-2H3,(H,24,27)/t19-/m0/s1

InChI Key

CJMOLDYGNINCOP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14794179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.238

Distribution Coefficient, logD

5.238

Water Solubility, LogSw

-4.96

Polar Surface Area

38.377

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

C782-1523 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C782-1523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-1523?
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What is the minimum amount of C782-1523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-1523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-1523
  • 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 C782-1523 available by request