C782-0361 Screening compound: N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C782-0361 Screening compound: N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
C782-0361 Screening compound: N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0361
N-(3,5-dimethylphenyl)-1-(6-ethoxy-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

C782-0361

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

N-(3,5-dimethylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

IUPAC name

N-(35-dimethylphenyl)-1-(6-ethoxy-13-benzothiazol-2-yl)piperidine-3-carboxamide

SMILES

CCOc(cc1)cc2c1nc(N(CCC1)CC1C(Nc1cc(C)cc(C)c1)=O)s2

InChI

InChI=1S/C23H27N3O2S/c1-4-28-19-7-8-20-21(13-19)29-23(25-20)26-9-5-6-17(14-26)22(27)24-18-11-15(2)10-16(3)12-18/h7-8,10-13,17H,4-6,9,14H2,1-3H3,(H,24,27)/t17-/m0/s1

InChI Key

TXUNWGQCHYZSOV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14793968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.268

Distribution Coefficient, logD

5.268

Water Solubility, LogSw

-5.12

Polar Surface Area

43.375

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C782-0361 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C782-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0361?
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What is the minimum amount of C782-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0361
  • 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 C782-0361 available by request