C782-1591 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide

C782-1591 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
C782-1591 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-1591
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]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

C782-1591

Molecular Formula

C25H39N5OS (C25 H39 N5 OS)

Compound Name

1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide

IUPAC name

1-(46-dimethyl-13-benzothiazol-2-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide

SMILES

CCCN1CCN(CCCNC(C(CCC2)CN2c2nc(c(C)cc(C)c3)c3s2)=O)CC1

InChI

InChI=1S/C25H39N5OS/c1-4-9-28-12-14-29(15-13-28)10-6-8-26-24(31)21-7-5-11-30(18-21)25-27-23-20(3)16-19(2)17-22(23)32-25/h16-17,21H,4-15,18H2,1-3H3,(H,26,31)/t21-/m0/s1

InChI Key

OUWRPEMAFFPIFW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14794197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.72

Polar Surface Area

45.958

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

C782-1591 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C782-1591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-1591?
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What is the minimum amount of C782-1591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-1591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-1591
  • 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 C782-1591 available by request