C127-0126 Screening compound: N-{3-[butyl(methyl)amino]propyl}-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C127-0126 Screening compound: N-{3-[butyl(methyl)amino]propyl}-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
C127-0126 Screening compound: N-{3-[butyl(methyl)amino]propyl}-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C127-0126
N-{3-[butyl(methyl)amino]propyl}-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-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

C127-0126

Molecular Formula

C23H36N4OS (C23 H36 N4 OS)

Compound Name

N-{3-[butyl(methyl)amino]propyl}-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

IUPAC name

N-{3-[butyl(methyl)amino]propyl}-1-(6-ethyl-13-benzothiazol-2-yl)piperidine-4-carboxamide

SMILES

CCCCN(C)CCCNC(C(CC1)CCN1c1nc(ccc(CC)c2)c2s1)=O

InChI

InChI=1S/C23H36N4OS/c1-4-6-13-26(3)14-7-12-24-22(28)19-10-15-27(16-11-19)23-25-20-9-8-18(5-2)17-21(20)29-23/h8-9,17,19H,4-7,10-16H2,1-3H3,(H,24,28)

InChI Key

IXTSASKFVDMKOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.633

Distribution Coefficient, logD

2.036

Water Solubility, LogSw

-4.23

Polar Surface Area

41.825

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.20

C127-0126 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C127-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C127-0126?
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What is the minimum amount of C127-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C127-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C127-0126
  • 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 C127-0126 available by request