C782-1290 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide

C782-1290 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide
C782-1290 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-1290
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}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

C782-1290

Molecular Formula

C27H36N4OS (C27 H36 N4 OS)

Compound Name

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

IUPAC name

1-(46-dimethyl-13-benzothiazol-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide

SMILES

CCN(CCCNC(C(CC1)CCN1c1nc(c(C)cc(C)c2)c2s1)=O)c1cc(C)ccc1

InChI

InChI=1S/C27H36N4OS/c1-5-30(23-9-6-8-19(2)17-23)13-7-12-28-26(32)22-10-14-31(15-11-22)27-29-25-21(4)16-20(3)18-24(25)33-27/h6,8-9,16-18,22H,5,7,10-15H2,1-4H3,(H,28,32)

InChI Key

QDDBFWPNRPUQCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.100

Distribution Coefficient, logD

6.068

Water Solubility, LogSw

-5.27

Polar Surface Area

41.241

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with C782-1290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-1290?
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What is the minimum amount of C782-1290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-1290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-1290
  • 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 C782-1290 available by request